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

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate CAS Name: 4-(methylthio)-2-[[(3-nitrophenyl)-oxomethyl]amino]butanoic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(3-nitrobenzoyl)amino]butyric acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C21H19ClN2O5S2 MolecularWeight: 478.96896

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)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)OCC1=C(C2=CC=CC=C2S1)Cl)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClN2O5S2/c1-30-10-9-16(23-20(25)13-5-4-6-14(11-13)24(27)28)21(26)29-12-18-19(22)15-7-2-3-8-17(15)31-18/h2-8,11,16H,9-10,12H2,1H3,(H,23,25)