methyl 2-[[(E)-3-(5-bromanyl-2-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(5-bromanyl-2-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(5-bromo-2-hydroxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(5-bromo-2-hydroxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(5-bromo-2-hydroxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(5-bromo-2-hydroxy-phenyl)-2-cyano-acryloyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H13BrN2O4S MolecularWeight: 421.26512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C(=CC2=C(C=CC(=C2)Br)O)C#N)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)/C(=C/C2=C(C=CC(=C2)Br)O)/C#N)C(=O)OC

InChI

InChI=1S/C17H13BrN2O4S/c1-9-5-13(17(23)24-2)16(25-9)20-15(22)11(8-19)6-10-7-12(18)3-4-14(10)21/h3-7,21H,1-2H3,(H,20,22)/b11-6+