[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(2-naphthylamino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(2-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-keto-2-(2-naphthylamino)ethyl] ester Formula: C21H16N2O3S2 MolecularWeight: 408.49334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O3S2/c24-19(22-16-10-9-14-5-1-2-6-15(14)11-16)12-26-20(25)13-27-21-23-17-7-3-4-8-18(17)28-21/h1-11H,12-13H2,(H,22,24)