methyl 2-[2-[(1R,4aS,8aR)-1-(4-fluorophenyl)-4a-oxidanyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(1R,4aS,8aR)-1-(4-fluorophenyl)-4a-oxidanyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(1R,4aS,8aR)-1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(1R,4aS,8aR)-1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(1R,4aS,8aR)-1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(1R,4aS,8aR)-1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C25H31FN2O4S MolecularWeight: 474.588043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCC3(CCCCC3C2C4=CC=C(C=C4)F)O)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CC[C@]3(CCCC[C@@H]3[C@@H]2C4=CC=C(C=C4)F)O)C

InChI

InChI=1S/C25H31FN2O4S/c1-15-16(2)33-23(21(15)24(30)32-3)27-20(29)14-28-13-12-25(31)11-5-4-6-19(25)22(28)17-7-9-18(26)10-8-17/h7-10,19,22,31H,4-6,11-14H2,1-3H3,(H,27,29)/t19-,22+,25+/m1/s1