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

Systemtic Name: methyl 2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)-2-cyano-acryloyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H15BrN2O4S MolecularWeight: 435.2917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN2O4S/c1-10-6-14(18(23)25-3)17(26-10)21-16(22)12(9-20)7-11-8-13(19)4-5-15(11)24-2/h4-8H,1-3H3,(H,21,22)/b12-7+