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

Systemtic Name: tert-butyl 2-[2-(3-acetamidophenyl)sulfanylethanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: tert-butyl 2-[[2-(3-acetamidophenyl)sulfanylacetyl]amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxoethyl]amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(3-acetamidophenyl)sulfanylacetyl]amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-[[2-[(3-acetamidophenyl)thio]acetyl]amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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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)OC(C)(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S2/c1-14(28)25-15-6-5-7-16(10-15)32-13-20(29)26-21-18(11-24)17-8-9-27(12-19(17)33-21)22(30)31-23(2,3)4/h5-7,10H,8-9,12-13H2,1-4H3,(H,25,28)(H,26,29)