[2-methoxy-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate

Systemtic Name: [2-methoxy-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate Openeye Name: [2-methoxy-4-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [2-methoxy-4-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [4-[(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C17H12N2O7S3 MolecularWeight: 452.48138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)S2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)S2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O7S3/c1-25-13-8-10(9-14-16(20)18-17(27)28-14)6-7-12(13)26-29(23,24)15-5-3-2-4-11(15)19(21)22/h2-9H,1H3,(H,18,20,27)