methyl 2-[(4-chloranyl-2-methyl-pyrazol-3-yl)carbonylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-chloranyl-2-methyl-pyrazol-3-yl)carbonylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(4-chloro-2-methyl-pyrazole-3-carbonyl)amino]thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-2-methyl-3-pyrazolyl)-oxomethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(4-chloro-2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-chloro-2-methyl-pyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Cl)C(=O)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN1C(=C(C=N1)Cl)C(=O)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H16ClN3O3S/c1-22-15(14(19)10-20-22)16(23)21-17-13(18(24)25-2)9-12(26-17)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,21,23)