[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-[(3-chlorobenzyl)amino]-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)CCCC(=O)OCC(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC(=O)NCC3=CC(=CC=C3)Cl

InChI

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