ethyl 3-aminocarbonyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: ethyl 3-aminocarbonyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 3-carbamoyl-2-[3-(p-tolylsulfanyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-carbamoyl-2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-carbamoyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-carbamoyl-2-[3-(p-tolylthio)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCSC3=CC=C(C=C3)C

InChI

InChI=1S/C21H25N3O4S2/c1-3-28-21(27)24-10-8-15-16(12-24)30-20(18(15)19(22)26)23-17(25)9-11-29-14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3,(H2,22,26)(H,23,25)