methyl 4,5-dimethyl-2-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[3-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-3-[(4,6,8-trimethyl-2-quinolinyl)thio]propyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[3-[(4,6,8-trimethyl-2-quinolyl)thio]propanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C23H26N2O3S2 MolecularWeight: 442.59414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCCC(=O)NC3=C(C(=C(S3)C)C)C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCCC(=O)NC3=C(C(=C(S3)C)C)C(=O)OC)C)C

InChI

InChI=1S/C23H26N2O3S2/c1-12-9-14(3)21-17(10-12)13(2)11-19(25-21)29-8-7-18(26)24-22-20(23(27)28-6)15(4)16(5)30-22/h9-11H,7-8H2,1-6H3,(H,24,26)