ethyl 3-[[(Z)-2-acetamido-3-phenyl-prop-2-enoyl]oxymethyl]-5-azanyl-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[[(Z)-2-acetamido-3-phenyl-prop-2-enoyl]oxymethyl]-5-azanyl-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 3-[[(Z)-2-acetamido-3-phenyl-prop-2-enoyl]oxymethyl]-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 3-[[(Z)-2-acetamido-1-oxo-3-phenylprop-2-enoxy]methyl]-5-amino-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]oxymethyl]-5-amino-4-cyanothiophene-2-carboxylate Traditional Name: 3-[[(Z)-2-acetamido-3-phenyl-acryloyl]oxymethyl]-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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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=CC=C2)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S/c1-3-27-20(26)17-15(14(10-21)18(22)29-17)11-28-19(25)16(23-12(2)24)9-13-7-5-4-6-8-13/h4-9H,3,11,22H2,1-2H3,(H,23,24)/b16-9-