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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[3-(4-propoxyphenyl)prop-2-enoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[3-(4-propoxyphenyl)prop-2-enoylamino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-3-(4-propoxyphenyl)prop-2-enyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[3-(4-propoxyphenyl)prop-2-enoylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[3-(4-propoxyphenyl)acryloyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-4-12-27-16-9-6-15(7-10-16)8-11-18(24)23-20-17(13-22)14(3)19(28-20)21(25)26-5-2/h6-11H,4-5,12H2,1-3H3,(H,23,24)