ethyl 5-azanyl-3-[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(E)-3-(1,3-benzoxazol-2-yl)-1-oxoprop-2-enoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(E)-3-(1,3-benzoxazol-2-yl)acryloyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C=CC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)/C=C/C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C19H15N3O5S/c1-2-25-19(24)17-12(11(9-20)18(21)28-17)10-26-16(23)8-7-15-22-13-5-3-4-6-14(13)27-15/h3-8H,2,10,21H2,1H3/b8-7+