ethyl 3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromene-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-4-hydroxy-8-methyl-7-oxo-5,6,8,8a-tetrahydrochromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-4-hydroxy-8-methyl-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-4-hydroxy-8-methyl-7-oxo-5,6,8,8a-tetrahydrochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-4-hydroxy-7-keto-8-methyl-5,6,8,8a-tetrahydrochromene-2-carboxylic acid ethyl ester Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2CCC(=O)C(C2O1)C)O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(C(=C2CCC(=O)C(C2O1)C)O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H19NO5S/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/h4-7,10,17,23H,3,8-9H2,1-2H3