[2-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[(3-carbomethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C19H19BrN2O5S MolecularWeight: 467.33356

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C19H19BrN2O5S/c1-10-3-4-13-14(5-10)28-17(16(13)19(25)26-2)22-15(23)9-27-18(24)11-6-12(20)8-21-7-11/h6-8,10H,3-5,9H2,1-2H3,(H,22,23)