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

Systemtic Name: tert-butyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: tert-butyl 2-[2-(3-aminophenyl)sulfanylbutanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)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-aminophenyl)sulfanylbutanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-[2-[(3-aminophenyl)thio]butanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester Formula: C23H28N4O3S2 MolecularWeight: 472.62342

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3S2/c1-5-18(31-15-8-6-7-14(25)11-15)20(28)26-21-17(12-24)16-9-10-27(13-19(16)32-21)22(29)30-23(2,3)4/h6-8,11,18H,5,9-10,13,25H2,1-4H3,(H,26,28)