5,6-dimethoxy-1,3-benzothiazole-4-carboxylic acid; 5,6-dimethyl-1,3-benzothiazole

Systemtic Name: 5,6-dimethoxy-1,3-benzothiazole-4-carboxylic acid; 5,6-dimethyl-1,3-benzothiazole Openeye Name: 5,6-dimethoxy-1,3-benzothiazole-4-carboxylic acid; 5,6-dimethyl-1,3-benzothiazole CAS Name: 5,6-dimethoxy-1,3-benzothiazole-4-carboxylic acid; 5,6-dimethyl-1,3-benzothiazole IUPAC Name: 5,6-dimethoxy-1,3-benzothiazole-4-carboxylic acid; 5,6-dimethyl-1,3-benzothiazole Traditional Name: 5,6-dimethoxy-1,3-benzothiazole-4-carboxylic acid; 5,6-dimethyl-1,3-benzothiazole Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC=N2.COC1=CC2=C(C(=C1OC)C(=O)O)N=CS2

Isomeric SMILES

CC1=CC2=C(C=C1C)SC=N2.COC1=CC2=C(C(=C1OC)C(=O)O)N=CS2

InChI

InChI=1S/C10H9NO4S.C9H9NS/c1-14-5-3-6-8(11-4-16-6)7(10(12)13)9(5)15-2;1-6-3-8-9(4-7(6)2)11-5-10-8/h3-4H,1-2H3,(H,12,13);3-5H,1-2H3