ethyl 2-[1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]ethylamino]ethanoate

Systemtic Name: ethyl 2-[1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]ethylamino]ethanoate Openeye Name: ethyl 2-[1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-pyrazol-4-ylidene]ethylamino]acetate CAS Name: 2-[1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-4-pyrazolylidene]ethylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxopyrazol-4-ylidene]ethylamino]acetate Traditional Name: 2-[1-[1-(1,3-benzothiazol-2-yl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]ethylamino]acetic acid ethyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C)C

Isomeric SMILES

CCOC(=O)CNC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C)C

InChI

InChI=1S/C17H18N4O3S/c1-4-24-14(22)9-18-10(2)15-11(3)20-21(16(15)23)17-19-12-7-5-6-8-13(12)25-17/h5-8,18H,4,9H2,1-3H3