methyl 2-[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[[4-(cyclopropylcarbamoyl)-2-quinolyl]sulfanyl]acetate CAS Name: 2-[[4-[(cyclopropylamino)-oxomethyl]-2-quinolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(cyclopropylcarbamoyl)-2-quinolyl]thio]acetic acid methyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

Isomeric SMILES

COC(=O)CSC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

InChI

InChI=1S/C16H16N2O3S/c1-21-15(19)9-22-14-8-12(16(20)17-10-6-7-10)11-4-2-3-5-13(11)18-14/h2-5,8,10H,6-7,9H2,1H3,(H,17,20)