[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O3S/c1-3-15-8-10-16(11-9-15)22-21(25)14(2)26-20(24)13-12-19-23-17-6-4-5-7-18(17)27-19/h4-11,14H,3,12-13H2,1-2H3,(H,22,25)