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

Systemtic Name: propan-2-yl 5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C19H17BrN2O3S MolecularWeight: 433.31888

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN2O3S/c1-11(2)25-19(24)17-12(3)15(10-21)18(26-17)22-16(23)9-6-13-4-7-14(20)8-5-13/h4-9,11H,1-3H3,(H,22,23)/b9-6+