methyl 2-[2-[(4-chloranyl-1-oxidanyl-naphthalen-2-yl)methylamino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: methyl 2-[2-[(4-chloranyl-1-oxidanyl-naphthalen-2-yl)methylamino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: methyl 2-[2-[(4-chloro-1-hydroxy-2-naphthyl)methylamino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[(4-chloro-1-hydroxy-2-naphthalenyl)methylamino]-2-oxoethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[(4-chloro-1-hydroxynaphthalen-2-yl)methylamino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-[(4-chloro-1-hydroxy-2-naphthyl)methylamino]-2-keto-ethyl]thio]benzoic acid methyl ester Formula: C21H18ClNO4S MolecularWeight: 415.88992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SCC(=O)NCC2=C(C3=CC=CC=C3C(=C2)Cl)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1SCC(=O)NCC2=C(C3=CC=CC=C3C(=C2)Cl)O

InChI

InChI=1S/C21H18ClNO4S/c1-27-21(26)16-8-4-5-9-18(16)28-12-19(24)23-11-13-10-17(22)14-6-2-3-7-15(14)20(13)25/h2-10,25H,11-12H2,1H3,(H,23,24)