2-(5-chloranyl-4-propan-2-yl-1,3-thiazol-2-yl)-5-ethenyl-3-(2-oxidanylideneethyl)-4-phenylazanyl-benzoic acid

Systemtic Name: 2-(5-chloranyl-4-propan-2-yl-1,3-thiazol-2-yl)-5-ethenyl-3-(2-oxidanylideneethyl)-4-phenylazanyl-benzoic acid Openeye Name: 4-anilino-2-(5-chloro-4-isopropyl-thiazol-2-yl)-3-(2-oxoethyl)-5-vinyl-benzoic acid CAS Name: 4-anilino-2-(5-chloro-4-propan-2-yl-2-thiazolyl)-5-ethenyl-3-(2-oxoethyl)benzoic acid IUPAC Name: 4-anilino-2-(5-chloro-4-propan-2-yl-1,3-thiazol-2-yl)-5-ethenyl-3-(2-oxoethyl)benzoic acid Traditional Name: 4-anilino-2-(5-chloro-4-isopropyl-thiazol-2-yl)-3-(2-ketoethyl)-5-vinyl-benzoic acid Formula: C23H21ClN2O3S MolecularWeight: 440.94244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(SC(=N1)C2=C(C(=C(C=C2C(=O)O)C=C)NC3=CC=CC=C3)CC=O)Cl

Isomeric SMILES

CC(C)C1=C(SC(=N1)C2=C(C(=C(C=C2C(=O)O)C=C)NC3=CC=CC=C3)CC=O)Cl

InChI

InChI=1S/C23H21ClN2O3S/c1-4-14-12-17(23(28)29)18(22-26-19(13(2)3)21(24)30-22)16(10-11-27)20(14)25-15-8-6-5-7-9-15/h4-9,11-13,25H,1,10H2,2-3H3,(H,28,29)