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

Systemtic Name: ethyl 2-[(2,4-dinitrophenyl)sulfanylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2,4-dinitrophenyl)sulfanylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2,4-dinitrophenyl)thio]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2,4-dinitrophenyl)sulfanylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(2,4-dinitrophenyl)thio]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H17N3O6S2 MolecularWeight: 423.46338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NSC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NSC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6S2/c1-2-26-17(21)15-11-5-3-4-6-13(11)27-16(15)18-28-14-8-7-10(19(22)23)9-12(14)20(24)25/h7-9,18H,2-6H2,1H3