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

Systemtic Name: methyl 2-[4-(4-chloranyl-3-methyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[4-(4-chloro-3-methyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-(4-chloro-3-methylphenoxy)-1-oxobutyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-chloro-3-methylphenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(4-chloro-3-methyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H26ClNO4S MolecularWeight: 435.96414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClNO4S/c1-13-6-8-16-18(11-13)29-21(20(16)22(26)27-3)24-19(25)5-4-10-28-15-7-9-17(23)14(2)12-15/h7,9,12-13H,4-6,8,10-11H2,1-3H3,(H,24,25)