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

Systemtic Name: [3-[(E)-(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chloranylbenzoate Openeye Name: [3-[(E)-(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [3-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [3-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-[(E)-(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C20H14ClNO3S2 MolecularWeight: 415.91306

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Cl)SC1=S

Isomeric SMILES

C=CCN1C(=O)/C(=C\C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Cl)/SC1=S

InChI

InChI=1S/C20H14ClNO3S2/c1-2-10-22-18(23)17(27-20(22)26)12-13-4-3-5-16(11-13)25-19(24)14-6-8-15(21)9-7-14/h2-9,11-12H,1,10H2/b17-12+