methyl 3-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(4-methoxy-3-nitrophenyl)methylthio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(4-methoxy-3-nitro-benzyl)thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C16H16N2O6S2 MolecularWeight: 396.43804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NC2=C(SC=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NC2=C(SC=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S2/c1-23-13-4-3-10(7-12(13)18(21)22)8-25-9-14(19)17-11-5-6-26-15(11)16(20)24-2/h3-7H,8-9H2,1-2H3,(H,17,19)