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

Systemtic Name: methyl (6R)-2-[2-(2-methoxy-5-nitro-phenoxy)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-2-[[2-(2-methoxy-5-nitro-phenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[2-(2-methoxy-5-nitrophenoxy)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-[[2-(2-methoxy-5-nitro-phenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22N2O7S/c1-11-4-6-13-16(8-11)30-19(18(13)20(24)28-3)21-17(23)10-29-15-9-12(22(25)26)5-7-14(15)27-2/h5,7,9,11H,4,6,8,10H2,1-3H3,(H,21,23)/t11-/m1/s1