methyl 3-diazo-1,2,4,10a-tetrahydrobenzo[c][1,5]benzoxathiepine-8-carboxylate

Systemtic Name: methyl 3-diazo-1,2,4,10a-tetrahydrobenzo[c][1,5]benzoxathiepine-8-carboxylate Openeye Name: methyl 3-diazo-1,2,4,10a-tetrahydrobenzo[c][1,5]benzoxathiepine-8-carboxylate CAS Name: 3-diazo-1,2,4,10a-tetrahydrobenzo[c][1,5]benzoxathiepin-8-carboxylic acid methyl ester IUPAC Name: methyl 3-diazo-1,2,4,10a-tetrahydrobenzo[c][1,5]benzoxathiepine-8-carboxylate Traditional Name: 3-diazo-1,2,4,10a-tetrahydrobenzo[c][1,5]benzoxathiepin-8-carboxylic acid methyl ester Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=COC3=C(CCC(=[N+]=[N-])C3)SC2C=C1

Isomeric SMILES

COC(=O)C1=CC2=COC3=C(CCC(=[N+]=[N-])C3)SC2C=C1

InChI

InChI=1S/C15H14N2O3S/c1-19-15(18)9-2-4-13-10(6-9)8-20-12-7-11(17-16)3-5-14(12)21-13/h2,4,6,8,13H,3,5,7H2,1H3