(3-chloranyl-1-benzothiophen-2-yl)methyl 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-4-(methylthio)butyric acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C21H19Cl2NO3S2 MolecularWeight: 468.41646

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=C(C2=CC=CC=C2S1)Cl)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CSCCC(C(=O)OCC1=C(C2=CC=CC=C2S1)Cl)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H19Cl2NO3S2/c1-28-11-10-16(24-20(25)13-6-2-4-8-15(13)22)21(26)27-12-18-19(23)14-7-3-5-9-17(14)29-18/h2-9,16H,10-12H2,1H3,(H,24,25)