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

Systemtic Name: methyl 2-[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO4S/c1-11-5-7-15-17(9-11)28-20(18(15)21(25)26-4)23-19(24)13(3)27-16-8-6-14(22)10-12(16)2/h6,8,10-11,13H,5,7,9H2,1-4H3,(H,23,24)