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

Systemtic Name: [2-methoxy-5-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzoate Openeye Name: [5-[(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-methoxy-5-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [5-[(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=C(C=C1)C(=O)OC2=C(C=CC(=C2)C=C3C(=O)N(C(=S)S3)CC=C)OC

Isomeric SMILES

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

InChI

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