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

Systemtic Name: [4-[(Z)-(4-oxidanylidene-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methylbenzoate Openeye Name: [4-[(Z)-(4-oxo-3-phenethyl-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(Z)-(4-oxo-3-phenethyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-[(Z)-(4-oxo-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(Z)-(4-keto-3-phenethyl-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C26H21NO3S2 MolecularWeight: 459.57984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C=C3C(=O)N(C(=S)S3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=S)S3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H21NO3S2/c1-18-6-5-9-21(16-18)25(29)30-22-12-10-20(11-13-22)17-23-24(28)27(26(31)32-23)15-14-19-7-3-2-4-8-19/h2-13,16-17H,14-15H2,1H3/b23-17-