[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C23H22N4O3S2 MolecularWeight: 466.57578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H22N4O3S2/c1-15(2)27-20(11-12-24-27)26-21(28)13-30-22(29)17-9-7-16(8-10-17)14-31-23-25-18-5-3-4-6-19(18)32-23/h3-12,15H,13-14H2,1-2H3,(H,26,28)