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

Systemtic Name: methyl 6-ethanoyl-2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-acetyl-2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-acetyl-2-[[3-[(4-methoxyphenyl)thio]-1-oxopropyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-acetyl-2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-acetyl-2-[3-[(4-methoxyphenyl)thio]propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S2/c1-13(24)23-10-8-16-17(12-23)30-20(19(16)21(26)28-3)22-18(25)9-11-29-15-6-4-14(27-2)5-7-15/h4-7H,8-12H2,1-3H3,(H,22,25)