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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

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