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

Systemtic Name: (phenylmethyl) 2-[(2-ethoxy-2-oxidanylidene-ethanoyl)-methyl-amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: benzyl 2-[(2-ethoxy-2-oxo-acetyl)-methyl-amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(2-ethoxy-1,2-dioxoethyl)-methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-ethoxy-2-oxoacetyl)-methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[ethoxalyl(methyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid benzyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)N(C)C1=C(C2=C(S1)CCCC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(=O)N(C)C1=C(C2=C(S1)CCCC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H23NO5S/c1-3-26-21(25)18(23)22(2)19-17(15-11-7-8-12-16(15)28-19)20(24)27-13-14-9-5-4-6-10-14/h4-6,9-10H,3,7-8,11-13H2,1-2H3