ethyl 2-[2-(4-azanylidene-3-cyano-2-oxidanylidene-pentyl)sulfanyl-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-(4-azanylidene-3-cyano-2-oxidanylidene-pentyl)sulfanyl-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-(3-cyano-4-imino-2-oxo-pentyl)sulfanylthiazol-4-yl]acetate CAS Name: 2-[2-[(3-cyano-4-imino-2-oxopentyl)thio]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-cyano-4-imino-2-oxopentyl)sulfanyl-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(3-cyano-4-imino-2-keto-pentyl)thio]thiazol-4-yl]acetic acid ethyl ester Formula: C13H15N3O3S2 MolecularWeight: 325.4065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)SCC(=O)C(C#N)C(=N)C

InChI

InChI=1S/C13H15N3O3S2/c1-3-19-12(18)4-9-6-20-13(16-9)21-7-11(17)10(5-14)8(2)15/h6,10,15H,3-4,7H2,1-2H3