ethyl 5-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H18N4O4S/c1-2-28-20(27)15-12-22-25(14-8-4-3-5-9-14)19(15)24-18(26)13-30-21-23-16-10-6-7-11-17(16)29-21/h3-12H,2,13H2,1H3,(H,24,26)