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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)COC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)COC(=O)CSC3=NC4=CC=CC=C4S3

InChI

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