methyl 3-[1-[4-(1,3-benzothiazol-6-ylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate

Systemtic Name: methyl 3-[1-[4-(1,3-benzothiazol-6-ylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate Openeye Name: methyl 3-[1-[4-(1,3-benzothiazol-6-ylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[1-[4-[(1,3-benzothiazol-6-ylamino)-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[4-(1,3-benzothiazol-6-ylcarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[1-[4-(1,3-benzothiazol-6-ylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propionic acid methyl ester Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=CS4)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=CS4)C)CCC(=O)OC

InChI

InChI=1S/C23H22N4O3S/c1-14-19(9-11-22(28)30-3)15(2)27(26-14)18-7-4-16(5-8-18)23(29)25-17-6-10-20-21(12-17)31-13-24-20/h4-8,10,12-13H,9,11H2,1-3H3,(H,25,29)