methyl 2-[2-(2-methoxy-5-nitro-phenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(2-methoxy-5-nitro-phenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-methoxy-5-nitro-phenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2-methoxy-5-nitrophenoxy)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-methoxy-5-nitro-phenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H20N2O7S MolecularWeight: 420.4363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C19H20N2O7S/c1-26-13-8-7-11(21(24)25)9-14(13)28-10-16(22)20-18-17(19(23)27-2)12-5-3-4-6-15(12)29-18/h7-9H,3-6,10H2,1-2H3,(H,20,22)