[4-[(E)-(3-butyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methylbenzoate

Systemtic Name: [4-[(E)-(3-butyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methylbenzoate Openeye Name: [4-[(E)-(3-butyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(E)-(3-butyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(E)-(3-butyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)C)SC1=S

Isomeric SMILES

CCCCN1C(=O)/C(=C\C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)C)/SC1=S

InChI

InChI=1S/C22H21NO3S2/c1-3-4-12-23-20(24)19(28-22(23)27)14-16-8-10-18(11-9-16)26-21(25)17-7-5-6-15(2)13-17/h5-11,13-14H,3-4,12H2,1-2H3/b19-14+