ethyl 4-cyano-5-[3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-(4-isopentyloxy-3-methoxy-phenyl)prop-2-enoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[3-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-oxoprop-2-enyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[3-(4-isoamoxy-3-methoxy-phenyl)acryloyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC(=C(C=C2)OCCC(C)C)OC)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC(=C(C=C2)OCCC(C)C)OC)C#N)C

InChI

InChI=1S/C24H28N2O5S/c1-6-30-24(28)22-16(4)18(14-25)23(32-22)26-21(27)10-8-17-7-9-19(20(13-17)29-5)31-12-11-15(2)3/h7-10,13,15H,6,11-12H2,1-5H3,(H,26,27)