[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(dibenzylamino)-2-oxo-ethyl] 6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-[bis(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(dibenzylamino)-2-oxoethyl] 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(dibenzylamino)-2-keto-ethyl] ester Formula: C26H27NO3S MolecularWeight: 433.56248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)OCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C(=O)OCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H27NO3S/c1-19-12-13-22-23(18-31-24(22)14-19)26(29)30-17-25(28)27(15-20-8-4-2-5-9-20)16-21-10-6-3-7-11-21/h2-11,18-19H,12-17H2,1H3