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

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-4-hydroxy-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-7-oxo-5,6,8,8a-tetrahydrochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-4-hydroxy-7-keto-5,6,8,8a-tetrahydrochromene-2-carboxylic acid ethyl ester Formula: C19H17NO5S MolecularWeight: 371.40698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2CCC(=O)CC2O1)O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(C(=C2CCC(=O)CC2O1)O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17NO5S/c1-2-24-19(23)17-15(18-20-12-5-3-4-6-14(12)26-18)16(22)11-8-7-10(21)9-13(11)25-17/h3-6,13,22H,2,7-9H2,1H3