methyl 2-[[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[(E)-3-(3-fluoro-4-methoxy-phenyl)prop-2-enoyl]amino]thiazole-5-carboxylate CAS Name: 2-[[(E)-3-(3-fluoro-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[[(E)-3-(3-fluoro-4-methoxy-phenyl)acryloyl]amino]thiazole-5-carboxylic acid methyl ester Formula: C15H13FN2O4S MolecularWeight: 336.338123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=NC=C(S2)C(=O)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=NC=C(S2)C(=O)OC)F

InChI

InChI=1S/C15H13FN2O4S/c1-21-11-5-3-9(7-10(11)16)4-6-13(19)18-15-17-8-12(23-15)14(20)22-2/h3-8H,1-2H3,(H,17,18,19)/b6-4+