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

Systemtic Name: [2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]ethyl] 2-(methylamino)benzoate Openeye Name: [2-[allyl-(4-phenylthiazol-2-yl)amino]-2-oxo-ethyl] 2-(methylamino)benzoate CAS Name: 2-(methylamino)benzoic 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] 2-(methylamino)benzoate Traditional Name: 2-(methylamino)benzoic acid [2-[allyl-(4-phenylthiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC=C1C(=O)OCC(=O)N(CC=C)C2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

CNC1=CC=CC=C1C(=O)OCC(=O)N(CC=C)C2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3S/c1-3-13-25(22-24-19(15-29-22)16-9-5-4-6-10-16)20(26)14-28-21(27)17-11-7-8-12-18(17)23-2/h3-12,15,23H,1,13-14H2,2H3