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

Systemtic Name: [2-ethoxy-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-ethoxy-phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [2-ethoxy-4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-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-ethoxy-phenyl] ester Formula: C21H18ClNO5S3 MolecularWeight: 496.01932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)OS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=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/C21H18ClNO5S3/c1-3-11-23-20(24)19(30-21(23)29)13-14-5-10-17(18(12-14)27-4-2)28-31(25,26)16-8-6-15(22)7-9-16/h3,5-10,12-13H,1,4,11H2,2H3