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

Systemtic Name: methyl 2-[1-(1,3-benzothiazol-2-yl)-4-(N-cyclopentyl-C-methyl-carbonimidoyl)-5-oxidanylidene-4H-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[1-(1,3-benzothiazol-2-yl)-4-(N-cyclopentyl-C-methyl-carbonimidoyl)-5-oxo-4H-pyrazol-3-yl]acetate CAS Name: 2-[1-(1,3-benzothiazol-2-yl)-4-(1-cyclopentyliminoethyl)-5-oxo-4H-pyrazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(1,3-benzothiazol-2-yl)-4-(N-cyclopentyl-C-methylcarbonimidoyl)-5-oxo-4H-pyrazol-3-yl]acetate Traditional Name: 2-[1-(1,3-benzothiazol-2-yl)-4-(N-cyclopentyl-C-methyl-carbonimidoyl)-5-keto-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1CCCC1)C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CC(=O)OC

Isomeric SMILES

CC(=NC1CCCC1)C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)CC(=O)OC

InChI

InChI=1S/C20H22N4O3S/c1-12(21-13-7-3-4-8-13)18-15(11-17(25)27-2)23-24(19(18)26)20-22-14-9-5-6-10-16(14)28-20/h5-6,9-10,13,18H,3-4,7-8,11H2,1-2H3