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

Systemtic Name: tert-butyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: tert-butyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxobutyl]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)sulfanylbutanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-[2-[(3-acetamidophenyl)thio]butanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester Formula: C25H30N4O4S2 MolecularWeight: 514.6601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O4S2/c1-6-20(34-17-9-7-8-16(12-17)27-15(2)30)22(31)28-23-19(13-26)18-10-11-29(14-21(18)35-23)24(32)33-25(3,4)5/h7-9,12,20H,6,10-11,14H2,1-5H3,(H,27,30)(H,28,31)