ethyl 5-azanyl-3-[[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[(E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(E)-3-(3-chloro-4-methylphenyl)-1-oxoprop-2-enoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(E)-3-(3-chloro-4-methyl-phenyl)acryloyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C19H17ClN2O4S MolecularWeight: 404.86728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C=CC2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)/C=C/C2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C19H17ClN2O4S/c1-3-25-19(24)17-14(13(9-21)18(22)27-17)10-26-16(23)7-6-12-5-4-11(2)15(20)8-12/h4-8H,3,10,22H2,1-2H3/b7-6+