methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-(1-ethoxypropylidene)-5-oxidanylidene-pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-(1-ethoxypropylidene)-5-oxidanylidene-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-(1-ethoxypropylidene)-5-oxo-pyrazol-3-yl]acetate CAS Name: 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-(1-ethoxypropylidene)-5-oxo-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-(1-ethoxypropylidene)-5-oxopyrazol-3-yl]acetate Traditional Name: 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-(1-ethoxypropylidene)-5-keto-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)OCC

Isomeric SMILES

CC/C(=C\1/C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)/OCC

InChI

InChI=1S/C18H19N3O4S/c1-4-13(25-5-2)16-12(10-15(22)24-3)20-21(17(16)23)18-19-11-8-6-7-9-14(11)26-18/h6-9H,4-5,10H2,1-3H3/b16-13+