methyl 2-[[(E)-3-(5-chloranyl-2-propoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(5-chloranyl-2-propoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(5-chloro-2-propoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(5-chloro-2-propoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(5-chloro-2-propoxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(5-chloro-2-propoxy-phenyl)-2-cyano-acryloyl]amino]-5-propyl-thiophene-3-carboxylic acid methyl ester Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O4S/c1-4-6-17-12-18(22(27)28-3)21(30-17)25-20(26)15(13-24)10-14-11-16(23)7-8-19(14)29-9-5-2/h7-8,10-12H,4-6,9H2,1-3H3,(H,25,26)/b15-10+