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

Systemtic Name: methyl 5-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C18H15BrN2O4S MolecularWeight: 435.2917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN2O4S/c1-10-13(9-20)17(26-16(10)18(23)25-3)21-15(22)7-4-11-8-12(19)5-6-14(11)24-2/h4-8H,1-3H3,(H,21,22)/b7-4+