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

Systemtic Name: tert-butyl 2-[2-(3-aminophenyl)sulfanylpropanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: tert-butyl 2-[2-(3-aminophenyl)sulfanylpropanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)thio]-1-oxopropyl]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)sulfanylpropanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-[2-[(3-aminophenyl)thio]propanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(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/C22H26N4O3S2/c1-13(30-15-7-5-6-14(24)10-15)19(27)25-20-17(11-23)16-8-9-26(12-18(16)31-20)21(28)29-22(2,3)4/h5-7,10,13H,8-9,12,24H2,1-4H3,(H,25,27)