[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)COC(=O)C2=CSC3=C2CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)COC(=O)C2=CSC3=C2CCCC3

InChI

InChI=1S/C19H21NO4S/c1-23-14-6-4-5-13(9-14)10-20-18(21)11-24-19(22)16-12-25-17-8-3-2-7-15(16)17/h4-6,9,12H,2-3,7-8,10-11H2,1H3,(H,20,21)