ethyl 2-[2-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: ethyl 2-[2-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: ethyl 2-[2-(1,3-benzothiazol-2-ylamino)-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-(1,3-benzothiazol-2-ylamino)-4-oxo-1H-pyrimidin-6-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-benzothiazol-2-ylamino)-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-(1,3-benzothiazol-2-ylamino)-4-keto-1H-pyrimidin-6-yl]acetic acid ethyl ester Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=O)N=C(N1)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)CC1=CC(=O)N=C(N1)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H14N4O3S/c1-2-22-13(21)8-9-7-12(20)18-14(16-9)19-15-17-10-5-3-4-6-11(10)23-15/h3-7H,2,8H2,1H3,(H2,16,17,18,19,20)