methyl 2-[2-[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanylethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[2-[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanylethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-[[4-(cyclopropylcarbamoyl)-2-quinolyl]sulfanyl]acetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[[4-[(cyclopropylamino)-oxomethyl]-2-quinolinyl]thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanylacetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[[4-(cyclopropylcarbamoyl)-2-quinolyl]thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

InChI

InChI=1S/C22H27N3O4S/c1-4-13(2)20(22(28)29-3)25-18(26)12-30-19-11-16(21(27)23-14-9-10-14)15-7-5-6-8-17(15)24-19/h5-8,11,13-14,20H,4,9-10,12H2,1-3H3,(H,23,27)(H,25,26)