methyl 4-(3-chloranylpropyl)-7-methyl-3-oxidanyl-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate

Systemtic Name: methyl 4-(3-chloranylpropyl)-7-methyl-3-oxidanyl-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate Openeye Name: methyl 4-(3-chloropropyl)-3-hydroxy-7-methyl-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate CAS Name: 4-(3-chloropropyl)-3-hydroxy-7-methyl-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-chloropropyl)-3-hydroxy-7-methyl-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate Traditional Name: 4-(3-chloropropyl)-3-hydroxy-7-methyl-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid methyl ester Formula: C15H19ClO4S MolecularWeight: 330.82696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClO4S/c1-10-4-5-11-12(8-10)21-15(6-3-7-16,14(18)19-2)13(17)9-20-11/h4-5,8,13,17H,3,6-7,9H2,1-2H3