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

Systemtic Name: methyl 3-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonylamino]benzoate Openeye Name: methyl 3-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]benzoate CAS Name: 3-[[(3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carbonyl)amino]benzoate Traditional Name: 3-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]benzoic acid methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3S/c1-13-17-12-18(28-20(17)24(23-13)16-9-4-3-5-10-16)19(25)22-15-8-6-7-14(11-15)21(26)27-2/h3-12H,1-2H3,(H,22,25)