ethyl 5-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C(=C3)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C(=C3)C(=O)OCC)C

InChI

InChI=1S/C17H18N4O4S/c1-4-24-10-6-7-11-14(8-10)26-17(18-11)19-15(22)12-9-13(21(3)20-12)16(23)25-5-2/h6-9H,4-5H2,1-3H3,(H,18,19,22)