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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-11(2)28-21(25)18-15-7-5-12(3)9-17(15)29-20(18)22-19(24)14-6-8-16(23(26)27)13(4)10-14/h6,8,10-12H,5,7,9H2,1-4H3,(H,22,24)