[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: [2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [2-(2-chloroanilino)-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [2-(2-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloroanilino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [2-(2-chloroanilino)-2-keto-ethyl] ester Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCCC(=O)OCC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCCC(=O)OCC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C20H19ClN2O3S/c21-14-7-1-2-8-15(14)22-18(24)13-26-20(25)12-6-5-11-19-23-16-9-3-4-10-17(16)27-19/h1-4,7-10H,5-6,11-13H2,(H,22,24)