[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 6-methyl-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 6-methyl-2,3-dihydrobenzothiophene-2-carboxylic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)OC(C)C(=O)NCC3=CC=CC=C3)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)OC(C)C(=O)NCC3=CC=CC=C3)C=C1

InChI

InChI=1S/C20H21NO3S/c1-13-8-9-16-11-18(25-17(16)10-13)20(23)24-14(2)19(22)21-12-15-6-4-3-5-7-15/h3-10,14,18H,11-12H2,1-2H3,(H,21,22)