[1-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-4-carboxylate

Systemtic Name: [1-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-4-carboxylate Openeye Name: 1-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [1-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid 1-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C20H20ClN3O3S MolecularWeight: 417.9091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C)C#N)OC(=O)C3=CC(=NC=C3)Cl

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C)C#N)OC(=O)C3=CC(=NC=C3)Cl

InChI

InChI=1S/C20H20ClN3O3S/c1-3-15(27-20(26)12-6-7-23-17(21)9-12)18(25)24-19-14(10-22)13-5-4-11(2)8-16(13)28-19/h6-7,9,11,15H,3-5,8H2,1-2H3,(H,24,25)