methyl 3-[1-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate

Systemtic Name: methyl 3-[1-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate Openeye Name: methyl 3-[1-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[1-[4-[(1,3-benzothiazol-2-ylamino)-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[1-[4-(1,3-benzothiazol-2-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=NC4=CC=CC=C4S3)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3)C)CCC(=O)OC

InChI

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