[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2,6-bis(fluoranyl)benzoate

Systemtic Name: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2,6-bis(fluoranyl)benzoate Openeye Name: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxo-ethyl] 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C19H16F2N2O3S MolecularWeight: 390.403746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)COC(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)COC(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C19H16F2N2O3S/c20-13-6-4-7-14(21)17(13)19(25)26-10-16(24)23-18-12(9-22)11-5-2-1-3-8-15(11)27-18/h4,6-7H,1-3,5,8,10H2,(H,23,24)