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

Systemtic Name: methyl 2-[2-(3-aminophenyl)sulfanylpropanoylamino]-6-ethanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-acetyl-2-[2-(3-aminophenyl)sulfanylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-acetyl-2-[[2-[(3-aminophenyl)thio]-1-oxopropyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-acetyl-2-[2-(3-aminophenyl)sulfanylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-acetyl-2-[2-[(3-aminophenyl)thio]propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)C)C(=O)OC)SC3=CC=CC(=C3)N

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)C)C(=O)OC)SC3=CC=CC(=C3)N

InChI

InChI=1S/C20H23N3O4S2/c1-11(28-14-6-4-5-13(21)9-14)18(25)22-19-17(20(26)27-3)15-7-8-23(12(2)24)10-16(15)29-19/h4-6,9,11H,7-8,10,21H2,1-3H3,(H,22,25)