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

Systemtic Name: [2-[(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-[(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C#N)NC(=O)COC(=O)C4=NC=CN=C4

Isomeric SMILES

C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C#N)NC(=O)COC(=O)C4=NC=CN=C4

InChI

InChI=1S/C22H18N4O3S/c23-11-17-16-7-6-15(14-4-2-1-3-5-14)10-19(16)30-21(17)26-20(27)13-29-22(28)18-12-24-8-9-25-18/h1-5,8-9,12,15H,6-7,10,13H2,(H,26,27)