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

Systemtic Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic 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] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C19H17FN2O3S MolecularWeight: 372.413283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)F

InChI

InChI=1S/C19H17FN2O3S/c1-11-6-7-12(8-15(11)20)19(24)25-10-17(23)22-18-14(9-21)13-4-2-3-5-16(13)26-18/h6-8H,2-5,10H2,1H3,(H,22,23)