methyl 4-[1,3-benzothiazol-2-yl-[2-(3,5-dimethylpyrazol-1-yl)ethyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[1,3-benzothiazol-2-yl-[2-(3,5-dimethylpyrazol-1-yl)ethyl]carbamoyl]benzoate Openeye Name: methyl 4-[1,3-benzothiazol-2-yl-[2-(3,5-dimethylpyrazol-1-yl)ethyl]carbamoyl]benzoate CAS Name: 4-[[1,3-benzothiazol-2-yl-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1,3-benzothiazol-2-yl-[2-(3,5-dimethylpyrazol-1-yl)ethyl]carbamoyl]benzoate Traditional Name: 4-[1,3-benzothiazol-2-yl-[2-(3,5-dimethylpyrazol-1-yl)ethyl]carbamoyl]benzoic acid methyl ester Formula: C23H22N4O3S MolecularWeight: 434.51078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)C(=O)OC)C

InChI

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