propan-2-yl 2-[2-(3,5-dimethylphenyl)carbonyloxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[2-(3,5-dimethylphenyl)carbonyloxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(3,5-dimethylbenzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3,5-dimethylphenyl)-oxomethoxy]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(3,5-dimethylbenzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3,5-dimethylbenzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C

InChI

InChI=1S/C23H27NO5S/c1-13(2)29-23(27)20-17-7-5-6-8-18(17)30-21(20)24-19(25)12-28-22(26)16-10-14(3)9-15(4)11-16/h9-11,13H,5-8,12H2,1-4H3,(H,24,25)