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

Systemtic Name: ethyl 5-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: ethyl 5-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]-3-methyl-isothiazole-4-carboxylate CAS Name: 5-[[(E)-3-(2-bromophenyl)-1-oxoprop-2-enyl]amino]-3-methyl-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-[[(E)-3-(2-bromophenyl)acryloyl]amino]-3-methyl-isothiazole-4-carboxylic acid ethyl ester Formula: C16H15BrN2O3S MolecularWeight: 395.2709

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SN=C1C)NC(=O)C=CC2=CC=CC=C2Br

Isomeric SMILES

CCOC(=O)C1=C(SN=C1C)NC(=O)/C=C/C2=CC=CC=C2Br

InChI

InChI=1S/C16H15BrN2O3S/c1-3-22-16(21)14-10(2)19-23-15(14)18-13(20)9-8-11-6-4-5-7-12(11)17/h4-9H,3H2,1-2H3,(H,18,20)/b9-8+