diethyl 4H-benzo[h][3,1]benzoxathiine-2,2-dicarboxylate

Systemtic Name: diethyl 4H-benzo[h][3,1]benzoxathiine-2,2-dicarboxylate Openeye Name: diethyl 4H-benzo[h][3,1]benzoxathiine-2,2-dicarboxylate CAS Name: 4H-benzo[h][3,1]benzoxathiin-2,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4H-benzo[h][3,1]benzoxathiine-2,2-dicarboxylate Traditional Name: 4H-benzo[h][3,1]benzoxathiin-2,2-dicarboxylic acid diethyl ester Formula: C18H18O5S MolecularWeight: 346.39752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(OCC2=C(S1)C3=CC=CC=C3C=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(OCC2=C(S1)C3=CC=CC=C3C=C2)C(=O)OCC

InChI

InChI=1S/C18H18O5S/c1-3-21-16(19)18(17(20)22-4-2)23-11-13-10-9-12-7-5-6-8-14(12)15(13)24-18/h5-10H,3-4,11H2,1-2H3