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

Systemtic Name: methyl 2-[(2-chloranylpyridin-3-yl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-chloropyridine-3-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-chloro-3-pyridinyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloropyridine-3-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-chloronicotinoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C17H17ClN2O3S/c1-9-5-6-10-12(8-9)24-16(13(10)17(22)23-2)20-15(21)11-4-3-7-19-14(11)18/h3-4,7,9H,5-6,8H2,1-2H3,(H,20,21)