methyl 3-[(2-methylsulfanylpyridin-3-yl)carbonylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[(2-methylsulfanylpyridin-3-yl)carbonylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[(2-methylsulfanylpyridine-3-carbonyl)amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(2-methylsulfanylpyridine-3-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[[2-(methylthio)nicotinoyl]amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C19H21N3O3S/c1-25-19(24)13-7-8-16(22-10-3-4-11-22)15(12-13)21-17(23)14-6-5-9-20-18(14)26-2/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,23)