ethyl 2-[6-bromanyl-2-(1,4-dimethylpyrazol-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-bromanyl-2-(1,4-dimethylpyrazol-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-bromo-2-(1,4-dimethylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[(1,4-dimethyl-3-pyrazolyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-bromo-2-(1,4-dimethylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-(1,4-dimethylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C17H17BrN4O3S MolecularWeight: 437.31088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=NN(C=C3C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=NN(C=C3C)C

InChI

InChI=1S/C17H17BrN4O3S/c1-4-25-14(23)9-22-12-6-5-11(18)7-13(12)26-17(22)19-16(24)15-10(2)8-21(3)20-15/h5-8H,4,9H2,1-3H3