[2-acetyloxy-4-[5-[7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-carboxyoxy-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-1,3,4-thiadiazol-2-yl]phenyl] ethanoate

Systemtic Name: [2-acetyloxy-4-[5-[7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-carboxyoxy-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-1,3,4-thiadiazol-2-yl]phenyl] ethanoate Openeye Name: [2-acetoxy-4-[5-[7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-2-carboxyoxy-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-1,3,4-thiadiazol-2-yl]phenyl] acetate CAS Name: acetic acid [2-acetyloxy-4-[5-[7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-2-carboxyoxy-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-1,3,4-thiadiazol-2-yl]phenyl] ester IUPAC Name: [2-acetyloxy-4-[5-[7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-carboxyoxy-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-1,3,4-thiadiazol-2-yl]phenyl] acetate Traditional Name: acetic acid [2-acetoxy-4-[5-[7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-2-carboxyoxy-8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-1,3,4-thiadiazol-2-yl]phenyl] ester Formula: C26H21N7O10S4 MolecularWeight: 719.74584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2=NN=C(S2)C3=C(N4C(C(C4=O)(C=S)NC(=O)C(=NOC)C5=CSC(=N5)N)SC3)OC(=O)O)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2=NN=C(S2)C3=C(N4C(C(C4=O)(C=S)NC(=O)/C(=N/OC)/C5=CSC(=N5)N)SC3)OC(=O)O)OC(=O)C

InChI

InChI=1S/C26H21N7O10S4/c1-10(34)41-15-5-4-12(6-16(15)42-11(2)35)19-30-31-20(47-19)13-7-45-23-26(9-44,22(37)33(23)21(13)43-25(38)39)29-18(36)17(32-40-3)14-8-46-24(27)28-14/h4-6,8-9,23H,7H2,1-3H3,(H2,27,28)(H,29,36)(H,38,39)/b32-17+