ethyl 1-[3-[(5-chloranylthiophen-2-yl)carbonylamino]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[3-[(5-chloranylthiophen-2-yl)carbonylamino]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[3-[[(5-chloro-2-thiophenyl)-oxomethyl]amino]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)C3=CC=C(S3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)C3=CC=C(S3)Cl)C

InChI

InChI=1S/C18H16ClN3O3S/c1-3-25-18(24)14-10-20-22(11(14)2)13-6-4-5-12(9-13)21-17(23)15-7-8-16(19)26-15/h4-10H,3H2,1-2H3,(H,21,23)