methyl 2-[(3-nitropyridin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-nitropyridin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(3-nitro-2-pyridyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(3-nitro-2-pyridinyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-nitropyridin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-nitro-2-pyridyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O4S/c1-22-15(19)12-9-5-2-3-7-11(9)23-14(12)17-13-10(18(20)21)6-4-8-16-13/h4,6,8H,2-3,5,7H2,1H3,(H,16,17)