ethyl 4-(4-ethoxyphenyl)-2-[4-(3-methyl-4-propan-2-yl-phenoxy)butanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-ethoxyphenyl)-2-[4-(3-methyl-4-propan-2-yl-phenoxy)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-ethoxyphenyl)-2-[4-(4-isopropyl-3-methyl-phenoxy)butanoylamino]thiophene-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-2-[[4-(3-methyl-4-propan-2-ylphenoxy)-1-oxobutyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxyphenyl)-2-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]thiophene-3-carboxylate Traditional Name: 2-[4-(4-isopropyl-3-methyl-phenoxy)butanoylamino]-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H35NO5S MolecularWeight: 509.6569

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCCOC3=CC(=C(C=C3)C(C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCCOC3=CC(=C(C=C3)C(C)C)C

InChI

InChI=1S/C29H35NO5S/c1-6-33-22-12-10-21(11-13-22)25-18-36-28(27(25)29(32)34-7-2)30-26(31)9-8-16-35-23-14-15-24(19(3)4)20(5)17-23/h10-15,17-19H,6-9,16H2,1-5H3,(H,30,31)