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

Systemtic Name: [2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(dibenzylamino)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-[bis(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(dibenzylamino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(dibenzylamino)-2-keto-ethyl] ester Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H25NO3S/c27-24(18-29-25(28)23-15-21-13-7-8-14-22(21)30-23)26(16-19-9-3-1-4-10-19)17-20-11-5-2-6-12-20/h1-6,9-12,15H,7-8,13-14,16-18H2