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

Systemtic Name: ethyl 4-cyano-5-[3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[3-(4-ethoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[3-(4-ethoxy-3-methoxy-phenyl)acryloyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N)OC

InChI

InChI=1S/C21H22N2O5S/c1-5-27-16-9-7-14(11-17(16)26-4)8-10-18(24)23-20-15(12-22)13(3)19(29-20)21(25)28-6-2/h7-11H,5-6H2,1-4H3,(H,23,24)