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

Systemtic Name: tert-butyl 2-[2-(3-aminophenyl)sulfanylethanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: tert-butyl 2-[[2-(3-aminophenyl)sulfanylacetyl]amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)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-aminophenyl)sulfanylacetyl]amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-[[2-[(3-aminophenyl)thio]acetyl]amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=CC=CC(=C3)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=CC=CC(=C3)N

InChI

InChI=1S/C21H24N4O3S2/c1-21(2,3)28-20(27)25-8-7-15-16(10-22)19(30-17(15)11-25)24-18(26)12-29-14-6-4-5-13(23)9-14/h4-6,9H,7-8,11-12,23H2,1-3H3,(H,24,26)