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

Systemtic Name: (phenylmethyl) 2-[(2-ethoxy-2-oxidanylidene-ethanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: benzyl 2-[(2-ethoxy-2-oxo-acetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(2-ethoxy-1,2-dioxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-ethoxy-2-oxoacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(ethoxalylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid benzyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H21NO5S/c1-2-25-20(24)17(22)21-18-16(14-10-6-7-11-15(14)27-18)19(23)26-12-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,21,22)