ethyl 5-azanyl-3-[2-(1,2-benzoxazol-3-yl)ethanoyloxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[2-(1,2-benzoxazol-3-yl)ethanoyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[2-(1,2-benzoxazol-3-yl)acetyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[2-(1,2-benzoxazol-3-yl)-1-oxoethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[2-(1,2-benzoxazol-3-yl)acetyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(2-indoxazen-3-ylacetyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=NOC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=NOC3=CC=CC=C32

InChI

InChI=1S/C18H15N3O5S/c1-2-24-18(23)16-12(11(8-19)17(20)27-16)9-25-15(22)7-13-10-5-3-4-6-14(10)26-21-13/h3-6H,2,7,9,20H2,1H3