methyl 6-tert-butyl-2-[(4-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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