(2-naphthalen-2-yl-2-oxidanylidene-ethyl) 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: (2-naphthalen-2-yl-2-oxidanylidene-ethyl) 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(2-naphthyl)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(2-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-2-yl-2-oxoethyl) 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-keto-2-(2-naphthyl)ethyl] ester Formula: C21H15NO3S2 MolecularWeight: 393.4787

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)COC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)COC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H15NO3S2/c23-18(16-10-9-14-5-1-2-6-15(14)11-16)12-25-20(24)13-26-21-22-17-7-3-4-8-19(17)27-21/h1-11H,12-13H2