methyl 3-aminocarbonyl-2-(3-phenylsulfanylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: methyl 3-aminocarbonyl-2-(3-phenylsulfanylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: methyl 3-carbamoyl-2-(3-phenylsulfanylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-carbamoyl-2-[[1-oxo-3-(phenylthio)propyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid methyl ester IUPAC Name: methyl 3-carbamoyl-2-(3-phenylsulfanylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-carbamoyl-2-[3-(phenylthio)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid methyl ester Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S2/c1-26-19(25)22-9-7-13-14(11-22)28-18(16(13)17(20)24)21-15(23)8-10-27-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,20,24)(H,21,23)