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

Systemtic Name: methyl 2-[2-(3-acetamidophenyl)sulfanylethanoylamino]-6-ethanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-[[2-(3-acetamidophenyl)sulfanylacetyl]amino]-6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxoethyl]amino]-6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-acetamidophenyl)sulfanylacetyl]amino]-6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-[[2-[(3-acetamidophenyl)thio]acetyl]amino]-6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)C)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)C)C(=O)OC

InChI

InChI=1S/C21H23N3O5S2/c1-12(25)22-14-5-4-6-15(9-14)30-11-18(27)23-20-19(21(28)29-3)16-7-8-24(13(2)26)10-17(16)31-20/h4-6,9H,7-8,10-11H2,1-3H3,(H,22,25)(H,23,27)