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

Systemtic Name: propyl 6-methyl-2-[(4-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 6-methyl-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 6-methyl-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-3-10-27-20(24)17-15-9-4-12(2)11-16(15)28-19(17)21-18(23)13-5-7-14(8-6-13)22(25)26/h5-8,12H,3-4,9-11H2,1-2H3,(H,21,23)