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

Systemtic Name: methyl 4,5-dimethyl-2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[3-[(4-methyl-2-quinolyl)sulfanyl]propanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[3-[(4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[3-[(4-methyl-2-quinolyl)thio]propanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=C(C(=C(S3)C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=C(C(=C(S3)C)C)C(=O)OC

InChI

InChI=1S/C21H22N2O3S2/c1-12-11-18(22-16-8-6-5-7-15(12)16)27-10-9-17(24)23-20-19(21(25)26-4)13(2)14(3)28-20/h5-8,11H,9-10H2,1-4H3,(H,23,24)