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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxy-phenyl]prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-[3-(2-furylmethylsulfanylmethyl)-4-methoxy-phenyl]prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[3-[(2-furanylmethylthio)methyl]-4-methoxyphenyl]-1-oxoprop-2-enyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]prop-2-enoyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-[3-[(2-furfurylthio)methyl]-4-methoxy-phenyl]acryloyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C29H24N2O5S2 MolecularWeight: 544.64126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)CSCC4=CC=CO4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)CSCC4=CC=CO4

InChI

InChI=1S/C29H24N2O5S2/c1-34-25-11-10-19(14-22(25)17-37-18-23-9-6-12-36-23)13-21(16-30)27(32)31-28-24(29(33)35-2)15-26(38-28)20-7-4-3-5-8-20/h3-15H,17-18H2,1-2H3,(H,31,32)/b21-13+