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

Systemtic Name: methyl 2-[(2-chloranylpyridin-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-chloropyridine-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-chloro-3-pyridinyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloropyridine-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-chloronicotinoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C16H15ClN2O3S MolecularWeight: 350.8199

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C16H15ClN2O3S/c1-22-16(21)12-9-5-2-3-7-11(9)23-15(12)19-14(20)10-6-4-8-18-13(10)17/h4,6,8H,2-3,5,7H2,1H3,(H,19,20)