[2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(2-acetylanilino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-(2-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-acetylanilino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(2-acetylanilino)-2-keto-ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H20N2O4S/c1-14(24)15-7-2-3-8-16(15)22-19(25)13-27-21(26)12-6-11-20-23-17-9-4-5-10-18(17)28-20/h2-5,7-10H,6,11-13H2,1H3,(H,22,25)