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

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C21H22N2O3S/c1-14-10-11-16(12-15(14)2)22-19(24)13-26-21(25)9-5-8-20-23-17-6-3-4-7-18(17)27-20/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3,(H,22,24)