3-(1,3-benzothiazol-2-yl)-8-methyl-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-methyl-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-4-oxo-1-benzopyran-2-carboxylate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-keto-8-methyl-chromene-2-carboxylate Formula: C18H10NO5S- MolecularWeight: 352.3407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(=O)[O-])O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(=O)[O-])O

InChI

InChI=1S/C18H11NO5S/c1-8-11(20)7-6-9-14(21)13(16(18(22)23)24-15(8)9)17-19-10-4-2-3-5-12(10)25-17/h2-7,20H,1H3,(H,22,23)/p-1