ethyl 2-[[4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2,2,3,3-tetrakis(fluoranyl)-4-oxidanylidene-butanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2,2,3,3-tetrakis(fluoranyl)-4-oxidanylidene-butanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2,2,3,3-tetrafluoro-4-oxo-butanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2,2,3,3-tetrafluoro-1,4-dioxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2,2,3,3-tetrafluoro-4-oxobutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2,2,3,3-tetrafluoro-4-keto-butanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H28F4N2O6S2 MolecularWeight: 604.633933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C(C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC)(F)F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C(C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC)(F)F)(F)F

InChI

InChI=1S/C26H28F4N2O6S2/c1-3-37-21(33)17-13-9-5-7-11-15(13)39-19(17)31-23(35)25(27,28)26(29,30)24(36)32-20-18(22(34)38-4-2)14-10-6-8-12-16(14)40-20/h3-12H2,1-2H3,(H,31,35)(H,32,36)