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

Systemtic Name: [2-methoxy-4-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chloranylbenzenesulfonate Openeye Name: [4-[(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [2-methoxy-4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [4-[(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C20H16ClNO5S3 MolecularWeight: 481.99274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)OS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)OS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H16ClNO5S3/c1-3-10-22-19(23)18(29-20(22)28)12-13-4-9-16(17(11-13)26-2)27-30(24,25)15-7-5-14(21)6-8-15/h3-9,11-12H,1,10H2,2H3