ethyl 2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-nitro-4-pyrrolidino-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5S/c1-2-30-22(27)19-15-7-3-4-8-18(15)31-21(19)23-20(26)14-9-10-16(17(13-14)25(28)29)24-11-5-6-12-24/h9-10,13H,2-8,11-12H2,1H3,(H,23,26)