methyl 2-[[(E)-2-cyano-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[4-methoxy-3-(phenoxymethyl)phenyl]-1-oxoprop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-[4-methoxy-3-(phenoxymethyl)phenyl]acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid methyl ester Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(S1)NC(=O)C(=CC2=CC(=C(C=C2)OC)COC3=CC=CC=C3)C#N)C(=O)OC

Isomeric SMILES

CC(C)C1=CC(=C(S1)NC(=O)/C(=C/C2=CC(=C(C=C2)OC)COC3=CC=CC=C3)/C#N)C(=O)OC

InChI

InChI=1S/C27H26N2O5S/c1-17(2)24-14-22(27(31)33-4)26(35-24)29-25(30)19(15-28)12-18-10-11-23(32-3)20(13-18)16-34-21-8-6-5-7-9-21/h5-14,17H,16H2,1-4H3,(H,29,30)/b19-12+