(phenylmethyl) 7-(1,3-dithian-2-yl)-2,3,4,5-tetrahydroazepine-1-carboxylate

Systemtic Name: (phenylmethyl) 7-(1,3-dithian-2-yl)-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: benzyl 7-(1,3-dithian-2-yl)-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-(1,3-dithian-2-yl)-2,3,4,5-tetrahydroazepine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-(1,3-dithian-2-yl)-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-(1,3-dithian-2-yl)-2,3,4,5-tetrahydroazepine-1-carboxylic acid benzyl ester Formula: C18H23NO2S2 MolecularWeight: 349.51072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=CC1)C2SCCCS2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C(=CC1)C2SCCCS2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H23NO2S2/c20-18(21-14-15-8-3-1-4-9-15)19-11-6-2-5-10-16(19)17-22-12-7-13-23-17/h1,3-4,8-10,17H,2,5-7,11-14H2