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

Systemtic Name: methyl 2-(3-phenylsulfanylpropanoylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-isopropyl-2-(3-phenylsulfanylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[1-oxo-3-(phenylthio)propyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-phenylsulfanylpropanoylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-isopropyl-2-[3-(phenylthio)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S2/c1-14(2)23-11-9-16-17(13-23)28-20(19(16)21(25)26-3)22-18(24)10-12-27-15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H,22,24)