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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(benzylamino)-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-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-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-(benzylamino)-2-keto-ethyl] ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C19H21NO3S/c1-13-7-8-16-15(9-13)10-17(24-16)19(22)23-12-18(21)20-11-14-5-3-2-4-6-14/h2-6,10,13H,7-9,11-12H2,1H3,(H,20,21)