N-(6-ethoxycarbonyl-1,3-benzothiazol-2-yl)-4,4-bis(oxidanylidene)-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboximidate

Systemtic Name: N-(6-ethoxycarbonyl-1,3-benzothiazol-2-yl)-4,4-bis(oxidanylidene)-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboximidate Openeye Name: N-(6-ethoxycarbonyl-1,3-benzothiazol-2-yl)-4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboximidate CAS Name: N-(6-ethoxycarbonyl-1,3-benzothiazol-2-yl)-4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiin-6-carboximidate IUPAC Name: N-(6-ethoxycarbonyl-1,3-benzothiazol-2-yl)-4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboximidate Traditional Name: N-(6-carbethoxy-1,3-benzothiazol-2-yl)-4,4-diketo-5-phenyl-2,3-dihydro-1,4-oxathiin-6-carboximidate Formula: C21H17N2O6S2- MolecularWeight: 457.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)N=C(C3=C(S(=O)(=O)CCO3)C4=CC=CC=C4)[O-]

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)N=C(C3=C(S(=O)(=O)CCO3)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C21H18N2O6S2/c1-2-28-20(25)14-8-9-15-16(12-14)30-21(22-15)23-19(24)17-18(13-6-4-3-5-7-13)31(26,27)11-10-29-17/h3-9,12H,2,10-11H2,1H3,(H,22,23,24)/p-1