methyl 3-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 3-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[[4-(cyclopropylcarbamoyl)-2-quinolyl]sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[[4-[(cyclopropylamino)-oxomethyl]-2-quinolinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[[4-(cyclopropylcarbamoyl)-2-quinolyl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

COC(=O)C1=C(C=CO1)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C20H18N2O4S/c1-25-20(24)18-12(8-9-26-18)11-27-17-10-15(19(23)21-13-6-7-13)14-4-2-3-5-16(14)22-17/h2-5,8-10,13H,6-7,11H2,1H3,(H,21,23)