ethyl 4,5-dimethyl-2-[4-(4-methylphenyl)sulfanylbutanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[4-(4-methylphenyl)sulfanylbutanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[4-(p-tolylsulfanyl)butanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[4-[(4-methylphenyl)thio]-1-oxobutyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[4-(4-methylphenyl)sulfanylbutanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[4-(p-tolylthio)butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C20H25NO3S2 MolecularWeight: 391.5474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCSC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCSC2=CC=C(C=C2)C

InChI

InChI=1S/C20H25NO3S2/c1-5-24-20(23)18-14(3)15(4)26-19(18)21-17(22)7-6-12-25-16-10-8-13(2)9-11-16/h8-11H,5-7,12H2,1-4H3,(H,21,22)