methyl 4-(4-methoxyphenyl)sulfonyl-1,2-thiazepine-5-carboxylate

Systemtic Name: methyl 4-(4-methoxyphenyl)sulfonyl-1,2-thiazepine-5-carboxylate Openeye Name: methyl 4-(4-methoxyphenyl)sulfonylthiazepine-5-carboxylate CAS Name: 4-(4-methoxyphenyl)sulfonyl-5-thiazepinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)sulfonylthiazepine-5-carboxylate Traditional Name: 4-(4-methoxyphenyl)sulfonylthiazepine-5-carboxylic acid methyl ester Formula: C14H13NO5S2 MolecularWeight: 339.38672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CSN=C2)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CSN=C2)C(=O)OC

InChI

InChI=1S/C14H13NO5S2/c1-19-10-3-5-11(6-4-10)22(17,18)13-9-15-21-8-7-12(13)14(16)20-2/h3-9H,1-2H3