(3-chloranyl-1-benzothiophen-2-yl)methyl 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C21H20ClNO3S2 MolecularWeight: 433.9714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO3S2/c1-27-12-11-16(23-20(24)14-7-3-2-4-8-14)21(25)26-13-18-19(22)15-9-5-6-10-17(15)28-18/h2-10,16H,11-13H2,1H3,(H,23,24)