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

Systemtic Name: methyl 2-[(2-chloranylpyridin-3-yl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-chloropyridine-3-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-chloro-3-pyridinyl)-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloropyridine-3-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-chloronicotinoyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C18H19ClN2O3S/c1-3-10-6-7-11-13(9-10)25-17(14(11)18(23)24-2)21-16(22)12-5-4-8-20-15(12)19/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,21,22)