[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate Traditional Name: 2-[(2-methylthiazol-4-yl)methoxy]benzoic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C18H17N3O4S/c1-11(20)15(7-19)16(22)9-25-18(23)14-5-3-4-6-17(14)24-8-13-10-26-12(2)21-13/h3-6,10,15,20H,8-9H2,1-2H3/t15-/m0/s1