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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(5-ethylsulfonyl-2-thioxo-1,3-benzoxazol-3-yl)methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(5-ethylsulfonyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(5-esyl-2-thioxo-1,3-benzoxazol-3-yl)methyl]-methyl-ammonium Formula: C19H20N3O3S3+ MolecularWeight: 434.5754

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19N3O3S3/c1-3-28(23,24)13-8-9-16-15(10-13)22(19(26)25-16)12-21(2)11-18-20-14-6-4-5-7-17(14)27-18/h4-10H,3,11-12H2,1-2H3/p+1