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

Systemtic Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)acryloyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C30H31BrN2O5S MolecularWeight: 611.54654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)Br)C(=O)OC)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)Br)C(=O)OC)OC

InChI

InChI=1S/C30H31BrN2O5S/c1-5-6-7-8-15-38-24-14-9-20(17-25(24)36-3)16-22(18-32)28(34)33-29-27(30(35)37-4)26(19(2)39-29)21-10-12-23(31)13-11-21/h9-14,16-17H,5-8,15H2,1-4H3,(H,33,34)/b22-16+