methyl 4,5-dimethyl-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[2-[(4-methyl-2-quinolyl)sulfanyl]butanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxobutyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[2-[(4-methyl-2-quinolyl)thio]butanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)OC)SC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)OC)SC2=NC3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C22H24N2O3S2/c1-6-17(29-18-11-12(2)15-9-7-8-10-16(15)23-18)20(25)24-21-19(22(26)27-5)13(3)14(4)28-21/h7-11,17H,6H2,1-5H3,(H,24,25)