propyl 6-methyl-2-[(2-methyl-3-nitro-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propyl 6-methyl-2-[(2-methyl-3-nitro-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 6-methyl-2-[(2-methyl-3-nitro-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 6-methyl-2-[(2-methyl-3-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[(2-methyl-3-nitro-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H24N2O5S/c1-4-10-28-21(25)18-15-9-8-12(2)11-17(15)29-20(18)22-19(24)14-6-5-7-16(13(14)3)23(26)27/h5-7,12H,4,8-11H2,1-3H3,(H,22,24)