ethyl 2-[2-(4-butoxyphenyl)carbonyloxypropanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-butoxyphenyl)carbonyloxypropanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-butoxybenzoyl)oxypropanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(4-butoxyphenyl)-oxomethoxy]-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-butoxybenzoyl)oxypropanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(4-butoxybenzoyl)oxypropanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H33NO6S MolecularWeight: 487.60832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC

InChI

InChI=1S/C26H33NO6S/c1-5-7-14-32-19-11-9-18(10-12-19)25(29)33-17(4)23(28)27-24-22(26(30)31-6-2)20-13-8-16(3)15-21(20)34-24/h9-12,16-17H,5-8,13-15H2,1-4H3,(H,27,28)