ethyl 2-[2-[4-(4-fluorophenyl)-4-oxidanylidene-butanoyl]oxypropanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(4-fluorophenyl)-4-oxidanylidene-butanoyl]oxypropanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-[4-(4-fluorophenyl)-4-oxo-butanoyl]oxypropanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-fluorophenyl)-1,4-dioxobutoxy]-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxypropanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[4-(4-fluorophenyl)-4-keto-butanoyl]oxypropanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H28FNO6S MolecularWeight: 489.556323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)OC(=O)CCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)OC(=O)CCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H28FNO6S/c1-4-32-25(31)22-18-10-5-14(2)13-20(18)34-24(22)27-23(30)15(3)33-21(29)12-11-19(28)16-6-8-17(26)9-7-16/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,27,30)