ethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: ethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C20H16ClN3O3S2 MolecularWeight: 445.94234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H16ClN3O3S2/c1-2-27-20(26)24-8-7-11-13(9-22)19(29-15(11)10-24)23-18(25)17-16(21)12-5-3-4-6-14(12)28-17/h3-6H,2,7-8,10H2,1H3,(H,23,25)