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

Systemtic Name: [2-methoxy-4-[(E)-(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methylbenzoate Openeye Name: [4-[(E)-(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-methoxy-4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(E)-(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C22H19NO4S2 MolecularWeight: 425.52056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO4S2/c1-4-10-23-20(24)19(29-22(23)28)13-15-8-9-17(18(12-15)26-3)27-21(25)16-7-5-6-14(2)11-16/h4-9,11-13H,1,10H2,2-3H3/b19-13+