[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-oxo-4H-1,4-benzoxazine-6-sulfonate CAS Name: 3-oxo-4H-1,4-benzoxazine-6-sulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-oxo-4H-1,4-benzoxazine-6-sulfonate Traditional Name: 3-keto-4H-1,4-benzoxazine-6-sulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C18H17NO6S3 MolecularWeight: 439.52568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OS(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OS(=O)(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C18H17NO6S3/c1-23-16-8-11(18-26-6-7-27-18)2-4-15(16)25-28(21,22)12-3-5-14-13(9-12)19-17(20)10-24-14/h2-5,8-9,18H,6-7,10H2,1H3,(H,19,20)