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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(3-methoxy-2-propoxy-phenyl)prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(3-methoxy-2-propoxy-phenyl)prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(3-methoxy-2-propoxyphenyl)-1-oxoprop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(3-methoxy-2-propoxyphenyl)prop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(3-methoxy-2-propoxy-phenyl)acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid methyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=C1OC)C=C(C#N)C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OC

Isomeric SMILES

CCCOC1=C(C=CC=C1OC)/C=C(\C#N)/C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OC

InChI

InChI=1S/C23H26N2O5S/c1-6-10-30-20-15(8-7-9-18(20)28-4)11-16(13-24)21(26)25-22-17(23(27)29-5)12-19(31-22)14(2)3/h7-9,11-12,14H,6,10H2,1-5H3,(H,25,26)/b16-11+