methyl 2-[2-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-1H-imidazol-5-ylidene]ethanoate

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-1H-imidazol-5-ylidene]ethanoate Openeye Name: methyl 2-[2-(1,3-benzothiazol-2-ylamino)-4-oxo-1H-imidazol-5-ylidene]acetate CAS Name: 2-[2-(1,3-benzothiazol-2-ylamino)-4-oxo-1H-imidazol-5-ylidene]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzothiazol-2-ylamino)-4-oxo-1H-imidazol-5-ylidene]acetate Traditional Name: 2-[2-(1,3-benzothiazol-2-ylamino)-5-keto-2-imidazolin-4-ylidene]acetic acid methyl ester Formula: C13H10N4O3S MolecularWeight: 302.3085

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C1C(=O)N=C(N1)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C=C1C(=O)N=C(N1)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H10N4O3S/c1-20-10(18)6-8-11(19)16-12(14-8)17-13-15-7-4-2-3-5-9(7)21-13/h2-6H,1H3,(H2,14,15,16,17,19)