methyl 7-methyl-3-oxidanylidene-1,5-benzoxathiepine-4-carboxylate

Systemtic Name: methyl 7-methyl-3-oxidanylidene-1,5-benzoxathiepine-4-carboxylate Openeye Name: methyl 7-methyl-3-oxo-1,5-benzoxathiepine-4-carboxylate CAS Name: 7-methyl-3-oxo-1,5-benzoxathiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7-methyl-3-oxo-1,5-benzoxathiepine-4-carboxylate Traditional Name: 3-keto-7-methyl-1,5-benzoxathiepin-4-carboxylic acid methyl ester Formula: C12H12O4S MolecularWeight: 252.28628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)C(S2)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)C(S2)C(=O)OC

InChI

InChI=1S/C12H12O4S/c1-7-3-4-9-10(5-7)17-11(12(14)15-2)8(13)6-16-9/h3-5,11H,6H2,1-2H3