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

Systemtic Name: ethyl 3-[(2-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 3-[[(2-nitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)CCCC2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)CCCC2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5S/c1-2-25-18(22)16-15(12-8-4-6-10-14(12)26-16)19-17(21)11-7-3-5-9-13(11)20(23)24/h3,5,7,9H,2,4,6,8,10H2,1H3,(H,19,21)