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

Systemtic Name: ethyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[3-[(4-methoxyphenyl)thio]-1-oxopropyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-[3-[(4-methoxyphenyl)thio]propanoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)CCSC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)CCSC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O4S2/c1-4-27-21(25)19-16-9-11-23(2)13-17(16)29-20(19)22-18(24)10-12-28-15-7-5-14(26-3)6-8-15/h5-8H,4,9-13H2,1-3H3,(H,22,24)