propan-2-yl 2-[[2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-cyano-3-[5-[3-(trifluoromethyl)phenyl]-2-furyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-cyano-1-oxo-3-[5-[3-(trifluoromethyl)phenyl]-2-furanyl]prop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-cyano-3-[5-[3-(trifluoromethyl)phenyl]-2-furyl]acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C27H23F3N2O4S MolecularWeight: 528.54273

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(F)(F)F)C#N

Isomeric SMILES

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(F)(F)F)C#N

InChI

InChI=1S/C27H23F3N2O4S/c1-15(2)35-26(34)23-20-8-3-4-9-22(20)37-25(23)32-24(33)17(14-31)13-19-10-11-21(36-19)16-6-5-7-18(12-16)27(28,29)30/h5-7,10-13,15H,3-4,8-9H2,1-2H3,(H,32,33)