methyl 2-[[(E)-3-(3-bromanyl-4-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(3-bromanyl-4-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(3-bromo-4-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(3-bromo-4-methoxy-phenyl)-2-cyano-acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H17BrN2O4S MolecularWeight: 449.31828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN2O4S/c1-10-11(2)27-18(16(10)19(24)26-4)22-17(23)13(9-21)7-12-5-6-15(25-3)14(20)8-12/h5-8H,1-4H3,(H,22,23)/b13-7+