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

Systemtic Name: [1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-4-carboxylate Openeye Name: 1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-cyano-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-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)OC(=O)C3=CC(=NC=C3)Cl

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)OC(=O)C3=CC(=NC=C3)Cl

InChI

InChI=1S/C19H18ClN3O3S/c1-2-14(26-19(25)11-7-8-22-16(20)9-11)17(24)23-18-13(10-21)12-5-3-4-6-15(12)27-18/h7-9,14H,2-6H2,1H3,(H,23,24)