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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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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)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O6S/c1-3-26-19(24)17-13(12(9-20)18(21)28-17)10-27-16(23)7-5-11-4-6-14(22)15(8-11)25-2/h4-8,22H,3,10,21H2,1-2H3/b7-5+