[2-(2,2-diphenylethylamino)-2-oxidanylidene-ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [2-(2,2-diphenylethylamino)-2-oxidanylidene-ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(2,2-diphenylethylamino)-2-oxo-ethyl] 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [2-(2,2-diphenylethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,2-diphenylethylamino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid [2-(2,2-diphenylethylamino)-2-keto-ethyl] ester Formula: C27H24N2O3S2 MolecularWeight: 488.62106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC(=O)COC(=O)C2=CC=CC=C2SCC3=CSC=N3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CNC(=O)COC(=O)C2=CC=CC=C2SCC3=CSC=N3)C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O3S2/c30-26(28-15-24(20-9-3-1-4-10-20)21-11-5-2-6-12-21)16-32-27(31)23-13-7-8-14-25(23)34-18-22-17-33-19-29-22/h1-14,17,19,24H,15-16,18H2,(H,28,30)