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

Systemtic Name: ethyl 2-[4-(4-chloranyl-3-methyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H28ClNO4S MolecularWeight: 449.99072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CCCOC3=CC(=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CCCOC3=CC(=C(C=C3)Cl)C

InChI

InChI=1S/C23H28ClNO4S/c1-4-28-23(27)21-17-9-7-14(2)12-19(17)30-22(21)25-20(26)6-5-11-29-16-8-10-18(24)15(3)13-16/h8,10,13-14H,4-7,9,11-12H2,1-3H3,(H,25,26)