methyl 6-methyl-2-[4-(3-methyl-4-propan-2-yl-phenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[4-(3-methyl-4-propan-2-yl-phenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[4-(4-isopropyl-3-methyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[4-(3-methyl-4-propan-2-ylphenoxy)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(4-isopropyl-3-methyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H33NO4S MolecularWeight: 443.59882

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCOC3=CC(=C(C=C3)C(C)C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCOC3=CC(=C(C=C3)C(C)C)C

InChI

InChI=1S/C25H33NO4S/c1-15(2)19-11-9-18(14-17(19)4)30-12-6-7-22(27)26-24-23(25(28)29-5)20-10-8-16(3)13-21(20)31-24/h9,11,14-16H,6-8,10,12-13H2,1-5H3,(H,26,27)