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

Systemtic Name: methyl 2-[[(Z)-2-cyano-3-[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxy-phenyl]prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(Z)-2-cyano-3-[3-(2-furylmethylsulfanylmethyl)-4-methoxy-phenyl]prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(Z)-2-cyano-3-[3-[(2-furanylmethylthio)methyl]-4-methoxyphenyl]-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(Z)-2-cyano-3-[3-(furan-2-ylmethylsulfanylmethyl)-4-methoxyphenyl]prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(Z)-2-cyano-3-[3-[(2-furfurylthio)methyl]-4-methoxy-phenyl]acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C23H20N2O5S2 MolecularWeight: 468.5453

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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=CS2)C(=O)OC)CSCC3=CC=CO3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(/C#N)\C(=O)NC2=C(C=CS2)C(=O)OC)CSCC3=CC=CO3

InChI

InChI=1S/C23H20N2O5S2/c1-28-20-6-5-15(11-17(20)13-31-14-18-4-3-8-30-18)10-16(12-24)21(26)25-22-19(7-9-32-22)23(27)29-2/h3-11H,13-14H2,1-2H3,(H,25,26)/b16-10-