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

Systemtic Name: ethyl 4-cyano-5-[3-(3-methoxy-4-propoxy-phenyl)prop-2-enoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-(3-methoxy-4-propoxy-phenyl)prop-2-enoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[3-(3-methoxy-4-propoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-(3-methoxy-4-propoxyphenyl)prop-2-enoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[3-(3-methoxy-4-propoxy-phenyl)acryloyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N)OC

InChI

InChI=1S/C22H24N2O5S/c1-5-11-29-17-9-7-15(12-18(17)27-4)8-10-19(25)24-21-16(13-23)14(3)20(30-21)22(26)28-6-2/h7-10,12H,5-6,11H2,1-4H3,(H,24,25)