[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C27H29NO3S MolecularWeight: 447.58906

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H29NO3S/c1-20-12-13-24-23(16-20)17-25(32-24)27(30)31-19-26(29)28(18-22-10-6-3-7-11-22)15-14-21-8-4-2-5-9-21/h2-11,17,20H,12-16,18-19H2,1H3