[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl] (5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C23H29NO3S MolecularWeight: 399.54626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=C(C=CC=C3C(C)C)C

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=C(C=CC=C3C(C)C)C

InChI

InChI=1S/C23H29NO3S/c1-5-16-9-10-19-17(11-16)12-20(28-19)23(26)27-13-21(25)24-22-15(4)7-6-8-18(22)14(2)3/h6-8,12,14,16H,5,9-11,13H2,1-4H3,(H,24,25)/t16-/m0/s1