methyl 2-[2-[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanylethanoyl-methyl-amino]benzoate

Systemtic Name: methyl 2-[2-[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanylethanoyl-methyl-amino]benzoate Openeye Name: methyl 2-[[2-[[4-(cyclopropylcarbamoyl)-2-quinolyl]sulfanyl]acetyl]-methyl-amino]benzoate CAS Name: 2-[[2-[[4-[(cyclopropylamino)-oxomethyl]-2-quinolinyl]thio]-1-oxoethyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanylacetyl]-methylamino]benzoate Traditional Name: 2-[[2-[[4-(cyclopropylcarbamoyl)-2-quinolyl]thio]acetyl]-methyl-amino]benzoic acid methyl ester Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C24H23N3O4S/c1-27(20-10-6-4-8-17(20)24(30)31-2)22(28)14-32-21-13-18(23(29)25-15-11-12-15)16-7-3-5-9-19(16)26-21/h3-10,13,15H,11-12,14H2,1-2H3,(H,25,29)