[2-[(2-chlorophenyl)carbonylamino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: [2-[(2-chlorophenyl)carbonylamino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [2-[(2-chlorobenzoyl)amino]-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-[[(2-chlorophenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chlorobenzoyl)amino]-2-oxoethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [2-[(2-chlorobenzoyl)amino]-2-keto-ethyl] ester Formula: C20H17ClN2O4S2 MolecularWeight: 448.94298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=O)COC(=O)CCCSC2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=O)COC(=O)CCCSC2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H17ClN2O4S2/c21-14-7-2-1-6-13(14)19(26)23-17(24)12-27-18(25)10-5-11-28-20-22-15-8-3-4-9-16(15)29-20/h1-4,6-9H,5,10-12H2,(H,23,24,26)