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

Systemtic Name: ethyl 2-[(5-bromanylpyridin-3-yl)carbonylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(5-bromopyridine-3-carbonyl)amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromopyridine-3-carbonyl)amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-bromonicotinoyl)amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H19BrN2O3S MolecularWeight: 423.32406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H19BrN2O3S/c1-3-24-18(23)15-14-10(2)5-4-6-13(14)25-17(15)21-16(22)11-7-12(19)9-20-8-11/h7-10H,3-6H2,1-2H3,(H,21,22)