methyl 5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[(E)-3-(4-bromophenyl)acryloyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C17H13BrN2O3S MolecularWeight: 405.26572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C=CC2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)/C=C/C2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C17H13BrN2O3S/c1-10-13(9-19)16(24-15(10)17(22)23-2)20-14(21)8-5-11-3-6-12(18)7-4-11/h3-8H,1-2H3,(H,20,21)/b8-5+