propyl 2-[5-[[4-(3-aminocarbonyl-4-oxidanyl-naphthalen-1-yl)oxy-3-methyl-phenyl]methylsulfanyl]-2H-1,2,3,4-tetrazol-1-ium-1-yl]ethanoate

Systemtic Name: propyl 2-[5-[[4-(3-aminocarbonyl-4-oxidanyl-naphthalen-1-yl)oxy-3-methyl-phenyl]methylsulfanyl]-2H-1,2,3,4-tetrazol-1-ium-1-yl]ethanoate Openeye Name: propyl 2-[5-[[4-[(3-carbamoyl-4-hydroxy-1-naphthyl)oxy]-3-methyl-phenyl]methylsulfanyl]-2H-tetrazol-1-ium-1-yl]acetate CAS Name: 2-[5-[[4-[(3-carbamoyl-4-hydroxy-1-naphthalenyl)oxy]-3-methylphenyl]methylthio]-2H-tetrazol-1-ium-1-yl]acetic acid propyl ester IUPAC Name: propyl 2-[5-[[4-(3-carbamoyl-4-hydroxynaphthalen-1-yl)oxy-3-methylphenyl]methylsulfanyl]-2H-tetrazol-1-ium-1-yl]acetate Traditional Name: 2-[5-[[4-(3-carbamoyl-4-hydroxy-1-naphthoxy)-3-methyl-benzyl]thio]-2H-tetrazol-1-ium-1-yl]acetic acid propyl ester Formula: C25H26N5O5S+ MolecularWeight: 508.56944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C[N+]1=C(N=NN1)SCC2=CC(=C(C=C2)OC3=CC(=C(C4=CC=CC=C43)O)C(=O)N)C

Isomeric SMILES

CCCOC(=O)C[N+]1=C(N=NN1)SCC2=CC(=C(C=C2)OC3=CC(=C(C4=CC=CC=C43)O)C(=O)N)C

InChI

InChI=1S/C25H25N5O5S/c1-3-10-34-22(31)13-30-25(27-28-29-30)36-14-16-8-9-20(15(2)11-16)35-21-12-19(24(26)33)23(32)18-7-5-4-6-17(18)21/h4-9,11-12H,3,10,13-14H2,1-2H3,(H3,26,32,33)/p+1