[7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-prop-2-enoxyimino-ethanoyl]amino]-3-[4-[3,4-bis(oxidanyl)phenyl]-1,3-thiazol-2-yl]-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate

Systemtic Name: [7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-prop-2-enoxyimino-ethanoyl]amino]-3-[4-[3,4-bis(oxidanyl)phenyl]-1,3-thiazol-2-yl]-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate Openeye Name: [7-[[(2E)-2-allyloxyimino-2-(2-aminothiazol-4-yl)acetyl]amino]-3-[4-(3,4-dihydroxyphenyl)thiazol-2-yl]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate CAS Name: carbonic acid [7-[[(2E)-2-(2-amino-4-thiazolyl)-1-oxo-2-prop-2-enoxyiminoethyl]amino]-3-[4-(3,4-dihydroxyphenyl)-2-thiazolyl]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] ester IUPAC Name: [7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-prop-2-enoxyiminoacetyl]amino]-3-[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate Traditional Name: carbonic acid [7-[[(2E)-2-allyloximino-2-(2-aminothiazol-4-yl)acetyl]amino]-3-[4-(3,4-dihydroxyphenyl)thiazol-2-yl]-8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] ester Formula: C25H20N6O8S4 MolecularWeight: 660.7217

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Descriptors Computed from Structure

Canonical SMILES:

C=CCON=C(C1=CSC(=N1)N)C(=O)NC2(C3N(C2=O)C(=C(CS3)C4=NC(=CS4)C5=CC(=C(C=C5)O)O)OC(=O)O)C=S

Isomeric SMILES

C=CCO/N=C(\C1=CSC(=N1)N)/C(=O)NC2(C3N(C2=O)C(=C(CS3)C4=NC(=CS4)C5=CC(=C(C=C5)O)O)OC(=O)O)C=S

InChI

InChI=1S/C25H20N6O8S4/c1-2-5-38-30-17(14-9-43-23(26)28-14)18(34)29-25(10-40)21(35)31-20(39-24(36)37)12(7-42-22(25)31)19-27-13(8-41-19)11-3-4-15(32)16(33)6-11/h2-4,6,8-10,22,32-33H,1,5,7H2,(H2,26,28)(H,29,34)(H,36,37)/b30-17+