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

Systemtic Name: methyl 2-[2-(3-aminophenyl)carbonyloxypropanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-aminobenzoyl)oxypropanoylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)-oxomethoxy]-1-oxopropyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-aminobenzoyl)oxypropanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(3-aminobenzoyl)oxypropanoylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)OC)OC(=O)C3=CC(=CC=C3)N

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)OC)OC(=O)C3=CC(=CC=C3)N

InChI

InChI=1S/C24H30N2O5S/c1-13(31-22(28)14-7-6-8-16(25)11-14)20(27)26-21-19(23(29)30-5)17-10-9-15(24(2,3)4)12-18(17)32-21/h6-8,11,13,15H,9-10,12,25H2,1-5H3,(H,26,27)