methyl 6-tert-butyl-2-[4-(4-chloranyl-3-methyl-phenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-tert-butyl-2-[4-(4-chloranyl-3-methyl-phenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-tert-butyl-2-[4-(4-chloro-3-methyl-phenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[4-(4-chloro-3-methylphenoxy)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-tert-butyl-2-[4-(4-chloro-3-methylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[4-(4-chloro-3-methyl-phenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H32ClNO4S MolecularWeight: 478.04388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC)Cl

InChI

InChI=1S/C25H32ClNO4S/c1-15-13-17(9-11-19(15)26)31-12-6-7-21(28)27-23-22(24(29)30-5)18-10-8-16(25(2,3)4)14-20(18)32-23/h9,11,13,16H,6-8,10,12,14H2,1-5H3,(H,27,28)