methyl 4,5-dimethyl-2-(3-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-(3-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[3-(2-quinolylsulfanyl)propanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-3-(2-quinolinylthio)propyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-(3-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[3-(2-quinolylthio)propanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCSC2=NC3=CC=CC=C3C=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCSC2=NC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C20H20N2O3S2/c1-12-13(2)27-19(18(12)20(24)25-3)22-16(23)10-11-26-17-9-8-14-6-4-5-7-15(14)21-17/h4-9H,10-11H2,1-3H3,(H,22,23)