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

Systemtic Name: ethyl 2-[4-(3-methyl-4-propan-2-yl-phenoxy)butanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-isopropyl-3-methyl-phenoxy)butanoylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[4-(3-methyl-4-propan-2-ylphenoxy)-1-oxobutyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(4-isopropyl-3-methyl-phenoxy)butanoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H31NO4S MolecularWeight: 465.60434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CCCOC3=CC(=C(C=C3)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CCCOC3=CC(=C(C=C3)C(C)C)C

InChI

InChI=1S/C27H31NO4S/c1-5-31-27(30)23-17-24(20-10-7-6-8-11-20)33-26(23)28-25(29)12-9-15-32-21-13-14-22(18(2)3)19(4)16-21/h6-8,10-11,13-14,16-18H,5,9,12,15H2,1-4H3,(H,28,29)