[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]ethyl] 3,4-dimethylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]ethyl] 3,4-dimethylbenzoate Openeye Name: [2-[allyl-(4-phenylthiazol-2-yl)amino]-2-oxo-ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [2-oxo-2-[(4-phenyl-2-thiazolyl)-prop-2-enylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethyl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-[allyl-(4-phenylthiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC=C)C2=NC(=CS2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC=C)C2=NC(=CS2)C3=CC=CC=C3)C

InChI

InChI=1S/C23H22N2O3S/c1-4-12-25(23-24-20(15-29-23)18-8-6-5-7-9-18)21(26)14-28-22(27)19-11-10-16(2)17(3)13-19/h4-11,13,15H,1,12,14H2,2-3H3