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

Systemtic Name: methyl 4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[[(E)-3-(3-nitrophenyl)acryloyl]amino]thiazole-5-carboxylic acid methyl ester Formula: C15H13N3O5S MolecularWeight: 347.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H13N3O5S/c1-9-13(14(20)23-2)24-15(16-9)17-12(19)7-6-10-4-3-5-11(8-10)18(21)22/h3-8H,1-2H3,(H,16,17,19)/b7-6+