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

Systemtic Name: [1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(2-ethoxyanilino)-1-methyl-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [1-(2-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-1-methyl-2-(o-phenetidino)ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)OC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(C)OC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O4S/c1-3-26-17-10-6-4-8-15(17)23-21(25)14(2)27-20(24)13-12-19-22-16-9-5-7-11-18(16)28-19/h4-11,14H,3,12-13H2,1-2H3,(H,23,25)