2-(1,3-dioxolan-2-yl)ethyl 7-methoxy-2-methyl-3-oxidanylidene-1,5-benzoxathiepine-4-carboxylate

Systemtic Name: 2-(1,3-dioxolan-2-yl)ethyl 7-methoxy-2-methyl-3-oxidanylidene-1,5-benzoxathiepine-4-carboxylate Openeye Name: 2-(1,3-dioxolan-2-yl)ethyl 7-methoxy-2-methyl-3-oxo-1,5-benzoxathiepine-4-carboxylate CAS Name: 7-methoxy-2-methyl-3-oxo-1,5-benzoxathiepin-4-carboxylic acid 2-(1,3-dioxolan-2-yl)ethyl ester IUPAC Name: 2-(1,3-dioxolan-2-yl)ethyl 7-methoxy-2-methyl-3-oxo-1,5-benzoxathiepine-4-carboxylate Traditional Name: 3-keto-7-methoxy-2-methyl-1,5-benzoxathiepin-4-carboxylic acid 2-(1,3-dioxolan-2-yl)ethyl ester Formula: C17H20O7S MolecularWeight: 368.4015

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(SC2=C(O1)C=CC(=C2)OC)C(=O)OCCC3OCCO3

Isomeric SMILES

CC1C(=O)C(SC2=C(O1)C=CC(=C2)OC)C(=O)OCCC3OCCO3

InChI

InChI=1S/C17H20O7S/c1-10-15(18)16(17(19)23-6-5-14-21-7-8-22-14)25-13-9-11(20-2)3-4-12(13)24-10/h3-4,9-10,14,16H,5-8H2,1-2H3