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

Systemtic Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(3-methoxy-2-propoxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(3-methoxy-2-propoxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(3-methoxy-2-propoxyphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(3-methoxy-2-propoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(3-methoxy-2-propoxy-phenyl)acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C26H23BrN2O5S MolecularWeight: 555.44022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=C1OC)C=C(C#N)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CCCOC1=C(C=CC=C1OC)/C=C(\C#N)/C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C26H23BrN2O5S/c1-4-12-34-23-17(6-5-7-21(23)32-2)13-18(14-28)24(30)29-25-22(26(31)33-3)20(15-35-25)16-8-10-19(27)11-9-16/h5-11,13,15H,4,12H2,1-3H3,(H,29,30)/b18-13+