methyl 4-(3-chlorophenyl)-5-methyl-2-[4-(3-methyl-4-propan-2-yl-phenoxy)butanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(3-chlorophenyl)-5-methyl-2-[4-(3-methyl-4-propan-2-yl-phenoxy)butanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(3-chlorophenyl)-2-[4-(4-isopropyl-3-methyl-phenoxy)butanoylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(3-chlorophenyl)-5-methyl-2-[[4-(3-methyl-4-propan-2-ylphenoxy)-1-oxobutyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-chlorophenyl)-5-methyl-2-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]thiophene-3-carboxylate Traditional Name: 4-(3-chlorophenyl)-2-[4-(4-isopropyl-3-methyl-phenoxy)butanoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C27H30ClNO4S MolecularWeight: 500.0494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30ClNO4S/c1-16(2)22-12-11-21(14-17(22)3)33-13-7-10-23(30)29-26-25(27(31)32-5)24(18(4)34-26)19-8-6-9-20(28)15-19/h6,8-9,11-12,14-16H,7,10,13H2,1-5H3,(H,29,30)