methyl 2-[1-(1,3-benzothiazol-2-yl)-4-(C-methyl-N-propyl-carbonimidoyl)-5-oxidanylidene-4H-pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[1-(1,3-benzothiazol-2-yl)-4-(C-methyl-N-propyl-carbonimidoyl)-5-oxidanylidene-4H-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[1-(1,3-benzothiazol-2-yl)-4-(C-methyl-N-propyl-carbonimidoyl)-5-oxo-4H-pyrazol-3-yl]acetate CAS Name: 2-[1-(1,3-benzothiazol-2-yl)-5-oxo-4-(1-propyliminoethyl)-4H-pyrazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(1,3-benzothiazol-2-yl)-4-(C-methyl-N-propylcarbonimidoyl)-5-oxo-4H-pyrazol-3-yl]acetate Traditional Name: 2-[1-(1,3-benzothiazol-2-yl)-5-keto-4-(C-methyl-N-propyl-carbonimidoyl)-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(C)C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC

Isomeric SMILES

CCCN=C(C)C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC

InChI

InChI=1S/C18H20N4O3S/c1-4-9-19-11(2)16-13(10-15(23)25-3)21-22(17(16)24)18-20-12-7-5-6-8-14(12)26-18/h5-8,16H,4,9-10H2,1-3H3