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

Systemtic Name: propan-2-yl 2-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C23H28ClNO4S MolecularWeight: 449.99072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C

InChI

InChI=1S/C23H28ClNO4S/c1-14(2)29-23(27)21-17-7-4-5-8-19(17)30-22(21)25-20(26)9-6-12-28-18-11-10-16(24)13-15(18)3/h10-11,13-14H,4-9,12H2,1-3H3,(H,25,26)