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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[4-(3-methyl-4-propan-2-yl-phenoxy)butanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[4-(4-isopropyl-3-methyl-phenoxy)butanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[4-(3-methyl-4-propan-2-ylphenoxy)-1-oxobutyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-5-[4-(4-isopropyl-3-methyl-phenoxy)butanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCOC2=CC(=C(C=C2)C(C)C)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCOC2=CC(=C(C=C2)C(C)C)C)C#N)C

InChI

InChI=1S/C23H28N2O4S/c1-6-28-23(27)21-16(5)19(13-24)22(30-21)25-20(26)8-7-11-29-17-9-10-18(14(2)3)15(4)12-17/h9-10,12,14H,6-8,11H2,1-5H3,(H,25,26)