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

Systemtic Name: tert-butyl 2-[2-(4-aminophenyl)sulfanylpropanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: tert-butyl 2-[2-(4-aminophenyl)sulfanylpropanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 2-[[2-[(4-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-(4-aminophenyl)sulfanylpropanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-[2-[(4-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

Click to see the large picture

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=C(C=C3)N

Isomeric SMILES

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

InChI

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