ethyl 2-[3-(5-bromanyl-2-methoxy-phenyl)propanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: ethyl 2-[3-(5-bromanyl-2-methoxy-phenyl)propanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 2-[3-(5-bromo-2-methoxy-phenyl)propanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 2-[[3-(5-bromo-2-methoxyphenyl)-1-oxopropyl]amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(5-bromo-2-methoxyphenyl)propanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-[3-(5-bromo-2-methoxy-phenyl)propanoylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H22BrN3O4S/c1-3-29-21(27)25-9-8-15-16(11-23)20(30-18(15)12-25)24-19(26)7-4-13-10-14(22)5-6-17(13)28-2/h5-6,10H,3-4,7-9,12H2,1-2H3,(H,24,26)