ethyl 2-[[2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-cyano-1-oxo-3-(4-propoxyphenyl)prop-2-enyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-cyano-3-(4-propoxyphenyl)acryloyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-4-10-27-16-8-6-14(7-9-16)11-15(12-21)18(24)23-20-22-13(3)17(28-20)19(25)26-5-2/h6-9,11H,4-5,10H2,1-3H3,(H,22,23,24)