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

Systemtic Name: [2-chloranyl-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-chloro-4-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-chloro-4-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-chloro-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-chloro-4-[(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C18H13ClN2O5S3 MolecularWeight: 468.95422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C3C(=O)NC(=S)S3)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C3C(=O)NC(=S)S3)Cl

InChI

InChI=1S/C18H13ClN2O5S3/c1-10(22)20-12-3-5-13(6-4-12)29(24,25)26-15-7-2-11(8-14(15)19)9-16-17(23)21-18(27)28-16/h2-9H,1H3,(H,20,22)(H,21,23,27)