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

Systemtic Name: ethyl 2-[(2-nitrophenyl)sulfanylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-nitrophenyl)sulfanylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-nitrophenyl)thio]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-nitrophenyl)sulfanylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(2-nitrophenyl)thio]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S2/c1-2-23-17(20)15-11-7-3-5-9-13(11)24-16(15)18-25-14-10-6-4-8-12(14)19(21)22/h4,6,8,10,18H,2-3,5,7,9H2,1H3