methyl 6-methyl-2-[2-(4-phenylphenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[2-(4-phenylphenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[2-(4-phenylphenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-(4-phenylphenoxy)propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[2-(4-phenylphenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[2-(4-phenylphenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C(C)OC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C(C)OC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27NO4S/c1-16-9-14-21-22(15-16)32-25(23(21)26(29)30-3)27-24(28)17(2)31-20-12-10-19(11-13-20)18-7-5-4-6-8-18/h4-8,10-13,16-17H,9,14-15H2,1-3H3,(H,27,28)