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

Systemtic Name: methyl 4-[[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]benzoate CAS Name: 4-[[[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]carbamoyl]benzoate Traditional Name: 4-[[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]benzoic acid methyl ester Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H20N4O4S/c1-4-30-16-6-5-7-17-19(16)24-22(31-17)26-18(12-13(2)25-26)23-20(27)14-8-10-15(11-9-14)21(28)29-3/h5-12H,4H2,1-3H3,(H,23,27)