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

Systemtic Name: methyl 2-[1-(1,3-benzothiazol-2-yl)-4-(N-cyclopropyl-C-methyl-carbonimidoyl)-5-oxidanylidene-4H-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[1-(1,3-benzothiazol-2-yl)-4-(N-cyclopropyl-C-methyl-carbonimidoyl)-5-oxo-4H-pyrazol-3-yl]acetate CAS Name: 2-[1-(1,3-benzothiazol-2-yl)-4-(1-cyclopropyliminoethyl)-5-oxo-4H-pyrazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(1,3-benzothiazol-2-yl)-4-(N-cyclopropyl-C-methylcarbonimidoyl)-5-oxo-4H-pyrazol-3-yl]acetate Traditional Name: 2-[1-(1,3-benzothiazol-2-yl)-4-(N-cyclopropyl-C-methyl-carbonimidoyl)-5-keto-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1CC1)C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CC(=O)OC

Isomeric SMILES

CC(=NC1CC1)C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CC(=O)OC

InChI

InChI=1S/C18H18N4O3S/c1-10(19-11-7-8-11)16-13(9-15(23)25-2)21-22(17(16)24)18-20-12-5-3-4-6-14(12)26-18/h3-6,11,16H,7-9H2,1-2H3