ethyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-phenethyl-amino]-5-methyl-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-phenethyl-amino]-5-methyl-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(E)-3-(2-furyl)prop-2-enoyl]-phenethyl-amino]-5-methyl-thiazole-4-carboxylate CAS Name: 2-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]-phenethylamino]-5-methyl-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-phenethylamino]-5-methyl-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(E)-3-(2-furyl)acryloyl]-phenethyl-amino]-5-methyl-thiazole-4-carboxylic acid ethyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=N1)N(CCC2=CC=CC=C2)C(=O)C=CC3=CC=CO3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=N1)N(CCC2=CC=CC=C2)C(=O)/C=C/C3=CC=CO3)C

InChI

InChI=1S/C22H22N2O4S/c1-3-27-21(26)20-16(2)29-22(23-20)24(14-13-17-8-5-4-6-9-17)19(25)12-11-18-10-7-15-28-18/h4-12,15H,3,13-14H2,1-2H3/b12-11+