methyl 4-chloranyl-3-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]benzoate CAS Name: 4-chloro-3-[[(3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carbonyl)amino]benzoate Traditional Name: 4-chloro-3-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]benzoic acid methyl ester Formula: C21H16ClN3O3S MolecularWeight: 425.88804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H16ClN3O3S/c1-12-15-11-18(29-20(15)25(24-12)14-6-4-3-5-7-14)19(26)23-17-10-13(21(27)28-2)8-9-16(17)22/h3-11H,1-2H3,(H,23,26)