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

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]-4-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-(2,4-dinitroanilino)-4-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(2,4-dinitroanilino)-4-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-(2,4-dinitroanilino)-4-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(2,4-dinitroanilino)-4-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C17H16N3O6S- MolecularWeight: 390.39044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC2=C1C(=C(S2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC1CCCC2=C1C(=C(S2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H17N3O6S/c1-2-9-4-3-5-13-14(9)15(17(21)22)16(27-13)18-11-7-6-10(19(23)24)8-12(11)20(25)26/h6-9,18H,2-5H2,1H3,(H,21,22)/p-1