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

Systemtic Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfanylbenzoate Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C20H20N2O3S2/c1-2-26-16-9-5-4-8-14(16)20(24)25-12-18(23)22-19-15(11-21)13-7-3-6-10-17(13)27-19/h4-5,8-9H,2-3,6-7,10,12H2,1H3,(H,22,23)