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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(4-cyclohexylcarbonyloxy-3-methoxy-phenyl)prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-[4-(cyclohexanecarbonyloxy)-3-methoxy-phenyl]prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[4-[cyclohexyl(oxo)methoxy]-3-methoxyphenyl]-1-oxoprop-2-enyl]amino]-5-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-[4-(cyclohexanecarbonyloxy)-3-methoxyphenyl]prop-2-enoyl]amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-[4-(cyclohexanecarbonyloxy)-3-methoxy-phenyl]acryloyl]amino]-5-propyl-thiophene-3-carboxylic acid methyl ester Formula: C27H30N2O6S MolecularWeight: 510.6019

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3CCCCC3)OC)C#N)C(=O)OC

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)/C(=C/C2=CC(=C(C=C2)OC(=O)C3CCCCC3)OC)/C#N)C(=O)OC

InChI

InChI=1S/C27H30N2O6S/c1-4-8-20-15-21(27(32)34-3)25(36-20)29-24(30)19(16-28)13-17-11-12-22(23(14-17)33-2)35-26(31)18-9-6-5-7-10-18/h11-15,18H,4-10H2,1-3H3,(H,29,30)/b19-13+