[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]benzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C18H17N3O4S/c1-11-7-13(21-25-11)10-26-17-6-4-3-5-14(17)18(23)24-9-16(22)15(8-19)12(2)20/h3-7,15,20H,9-10H2,1-2H3/t15-/m1/s1