ethyl 5-azanyl-4-cyano-3-[2-[(2R)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-[(2R)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[1-oxo-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]ethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-[(2R)-3-keto-4H-1,4-benzoxazin-2-yl]acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2C(=O)NC3=CC=CC=C3O2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C[C@@H]2C(=O)NC3=CC=CC=C3O2

InChI

InChI=1S/C19H17N3O6S/c1-2-26-19(25)16-11(10(8-20)17(21)29-16)9-27-15(23)7-14-18(24)22-12-5-3-4-6-13(12)28-14/h3-6,14H,2,7,9,21H2,1H3,(H,22,24)/t14-/m1/s1