methyl 2-(2-methylphenyl)-4-[(2Z)-3-oxidanylidene-2-(1,3-thiazol-5-ylmethylidene)butyl]benzoate

Systemtic Name: methyl 2-(2-methylphenyl)-4-[(2Z)-3-oxidanylidene-2-(1,3-thiazol-5-ylmethylidene)butyl]benzoate Openeye Name: methyl 2-(o-tolyl)-4-[(2Z)-3-oxo-2-(thiazol-5-ylmethylene)butyl]benzoate CAS Name: 2-(2-methylphenyl)-4-[(2Z)-3-oxo-2-(5-thiazolylmethylidene)butyl]benzoic acid methyl ester IUPAC Name: methyl 2-(2-methylphenyl)-4-[(2Z)-3-oxo-2-(1,3-thiazol-5-ylmethylidene)butyl]benzoate Traditional Name: 4-[(Z)-2-acetyl-3-thiazol-5-yl-allyl]-2-(o-tolyl)benzoic acid methyl ester Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CC(=CC3=CN=CS3)C(=O)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)C/C(=C/C3=CN=CS3)/C(=O)C)C(=O)OC

InChI

InChI=1S/C23H21NO3S/c1-15-6-4-5-7-20(15)22-11-17(8-9-21(22)23(26)27-3)10-18(16(2)25)12-19-13-24-14-28-19/h4-9,11-14H,10H2,1-3H3/b18-12-