[2-methyl-4-[(4-methyl-1,3-benzothiazol-5-yl)carbonyl]pyrazol-3-yl] benzoate

Systemtic Name: [2-methyl-4-[(4-methyl-1,3-benzothiazol-5-yl)carbonyl]pyrazol-3-yl] benzoate Openeye Name: [2-methyl-4-(4-methyl-1,3-benzothiazole-5-carbonyl)pyrazol-3-yl] benzoate CAS Name: benzoic acid [2-methyl-4-[(4-methyl-1,3-benzothiazol-5-yl)-oxomethyl]-3-pyrazolyl] ester IUPAC Name: [2-methyl-4-(4-methyl-1,3-benzothiazole-5-carbonyl)pyrazol-3-yl] benzoate Traditional Name: benzoic acid [2-methyl-4-(4-methyl-1,3-benzothiazole-5-carbonyl)pyrazol-3-yl] ester Formula: C20H15N3O3S MolecularWeight: 377.4164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=CS2)C(=O)C3=C(N(N=C3)C)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC2=C1N=CS2)C(=O)C3=C(N(N=C3)C)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H15N3O3S/c1-12-14(8-9-16-17(12)21-11-27-16)18(24)15-10-22-23(2)19(15)26-20(25)13-6-4-3-5-7-13/h3-11H,1-2H3