[7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-phenylmethoxyimino-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-phenylmethoxyimino-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-(2-aminothiazol-4-yl)-2-benzyloxyimino-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-phenylmethoxyiminoethyl]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-phenylmethoxyiminoacetyl]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-(2-aminothiazol-4-yl)-2-benzyloximino-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: C29H22N6O8S4 MolecularWeight: 710.78038

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)(C=S)NC(=O)C(=NOCC3=CC=CC=C3)C4=CSC(=N4)N)OC(=O)O)C5=NC(=CS5)C6=CC(=C(C=C6)O)O

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)(C=S)NC(=O)/C(=N/OCC3=CC=CC=C3)/C4=CSC(=N4)N)OC(=O)O)C5=NC(=CS5)C6=CC(=C(C=C6)O)O

InChI

InChI=1S/C29H22N6O8S4/c30-27-32-18(12-47-27)21(34-42-9-14-4-2-1-3-5-14)22(38)33-29(13-44)25(39)35-24(43-28(40)41)16(10-46-26(29)35)23-31-17(11-45-23)15-6-7-19(36)20(37)8-15/h1-8,11-13,26,36-37H,9-10H2,(H2,30,32)(H,33,38)(H,40,41)/b34-21+