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

Systemtic Name: ethyl 3-aminocarbonyl-2-[3-(phenylmethylsulfanyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 2-(3-benzylsulfanylpropanoylamino)-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-carbamoyl-2-[[1-oxo-3-(phenylmethylthio)propyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-benzylsulfanylpropanoylamino)-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-[3-(benzylthio)propanoylamino]-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCSCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCSCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S2/c1-2-28-21(27)24-10-8-15-16(12-24)30-20(18(15)19(22)26)23-17(25)9-11-29-13-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H2,22,26)(H,23,25)