methyl 2-[2-(4-aminophenyl)carbonyloxyethanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-aminophenyl)carbonyloxyethanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-aminobenzoyl)oxyacetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(4-aminophenyl)-oxomethoxy]-1-oxoethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-aminobenzoyl)oxyacetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-aminobenzoyl)oxyacetyl]amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C23H28N2O5S/c1-23(2,3)14-7-10-16-17(11-14)31-20(19(16)22(28)29-4)25-18(26)12-30-21(27)13-5-8-15(24)9-6-13/h5-6,8-9,14H,7,10-12,24H2,1-4H3,(H,25,26)