[1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloroanilino)-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H17ClN2O3S/c1-12(19(24)21-14-6-4-5-13(20)11-14)25-18(23)10-9-17-22-15-7-2-3-8-16(15)26-17/h2-8,11-12H,9-10H2,1H3,(H,21,24)