1,3-benzothiazol-2-ylmethyl 3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: 3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: 3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H18ClN3O2S MolecularWeight: 423.91522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC2=NC3=CC=CC=C3S2)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C=CC(=O)OCC2=NC3=CC=CC=C3S2)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H18ClN3O2S/c1-15-17(22(23)26(25-15)13-16-7-3-2-4-8-16)11-12-21(27)28-14-20-24-18-9-5-6-10-19(18)29-20/h2-12H,13-14H2,1H3