(5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl-[(4-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: (5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl-[(4-methoxyphenyl)methyl]-methyl-azanium Openeye Name: (5-ethylsulfonyl-2-thioxo-1,3-benzoxazol-3-yl)methyl-[(4-methoxyphenyl)methyl]-methyl-ammonium CAS Name: (5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl-[(4-methoxyphenyl)methyl]-methylammonium IUPAC Name: (5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl-[(4-methoxyphenyl)methyl]-methylazanium Traditional Name: (5-esyl-2-thioxo-1,3-benzoxazol-3-yl)methyl-methyl-p-anisyl-ammonium Formula: C19H23N2O4S2+ MolecularWeight: 407.52692

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+](C)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+](C)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H22N2O4S2/c1-4-27(22,23)16-9-10-18-17(11-16)21(19(26)25-18)13-20(2)12-14-5-7-15(24-3)8-6-14/h5-11H,4,12-13H2,1-3H3/p+1