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

Systemtic Name: [2-[(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] furan-2-carboxylate Openeye Name: [2-[(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] furan-2-carboxylate CAS Name: 2-furancarboxylic 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] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [2-[(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C#N)NC(=O)COC(=O)C4=CC=CO4

Isomeric SMILES

C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C#N)NC(=O)COC(=O)C4=CC=CO4

InChI

InChI=1S/C22H18N2O4S/c23-12-17-16-9-8-15(14-5-2-1-3-6-14)11-19(16)29-21(17)24-20(25)13-28-22(26)18-7-4-10-27-18/h1-7,10,15H,8-9,11,13H2,(H,24,25)