methyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-nitro-benzoate

Systemtic Name: methyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-nitro-benzoate Openeye Name: methyl 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-nitro-benzoate CAS Name: 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-nitrobenzoate Traditional Name: 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-nitro-benzoic acid methyl ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S/c1-24-17(21)10-6-7-13(14(8-10)20(22)23)19-16-12(9-18)11-4-2-3-5-15(11)25-16/h6-8,19H,2-5H2,1H3