[2-(3-methyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(3-methylbenzofuran-2-yl)-2-oxo-ethyl] 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-(3-methyl-2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-keto-2-(3-methylbenzofuran-2-yl)ethyl] ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)COC(=O)C3=C(SC4=C3CCCC4)NC(=O)C

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)COC(=O)C3=C(SC4=C3CCCC4)NC(=O)C

InChI

InChI=1S/C22H21NO5S/c1-12-14-7-3-5-9-17(14)28-20(12)16(25)11-27-22(26)19-15-8-4-6-10-18(15)29-21(19)23-13(2)24/h3,5,7,9H,4,6,8,10-11H2,1-2H3,(H,23,24)