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

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-methyl-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 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-carboxylic acid ethyl ester IUPAC Name: ethyl 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-carboxylic acid ethyl ester Formula: C20H15NO5S MolecularWeight: 381.4018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H15NO5S/c1-3-25-20(24)18-15(19-21-12-6-4-5-7-14(12)27-19)16(23)11-8-9-13(22)10(2)17(11)26-18/h4-9,22H,3H2,1-2H3