methyl 2-(4,4-dimethyl-5-oxidanylidene-1-phenylazanyl-imidazol-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(4,4-dimethyl-5-oxidanylidene-1-phenylazanyl-imidazol-2-yl)sulfanylethanoate Openeye Name: methyl 2-(1-anilino-4,4-dimethyl-5-oxo-imidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-anilino-4,4-dimethyl-5-oxo-2-imidazolyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(1-anilino-4,4-dimethyl-5-oxoimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-anilino-5-keto-4,4-dimethyl-2-imidazolin-2-yl)thio]acetic acid methyl ester Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=N1)SCC(=O)OC)NC2=CC=CC=C2)C

Isomeric SMILES

CC1(C(=O)N(C(=N1)SCC(=O)OC)NC2=CC=CC=C2)C

InChI

InChI=1S/C14H17N3O3S/c1-14(2)12(19)17(16-10-7-5-4-6-8-10)13(15-14)21-9-11(18)20-3/h4-8,16H,9H2,1-3H3