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

Systemtic Name: 2-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonylamino]ethyl 4-chloranylbenzoate Openeye Name: 2-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]ethyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 2-[[(3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carbonyl)amino]ethyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 2-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]ethyl ester Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O3S/c1-14-18-13-19(30-21(18)26(25-14)17-5-3-2-4-6-17)20(27)24-11-12-29-22(28)15-7-9-16(23)10-8-15/h2-10,13H,11-12H2,1H3,(H,24,27)