methyl 5-azido-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxylate

Systemtic Name: methyl 5-azido-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxylate Openeye Name: methyl 5-azido-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxylate CAS Name: 5-azido-2,3,4,5-tetrahydro-1-benzothiepin-8-carboxylic acid methyl ester IUPAC Name: methyl 5-azido-2,3,4,5-tetrahydro-1-benzothiepine-8-carboxylate Traditional Name: 5-azido-2,3,4,5-tetrahydro-1-benzothiepin-8-carboxylic acid methyl ester Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(CCCS2)N=[N+]=[N-]

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(CCCS2)N=[N+]=[N-]

InChI

InChI=1S/C12H13N3O2S/c1-17-12(16)8-4-5-9-10(14-15-13)3-2-6-18-11(9)7-8/h4-5,7,10H,2-3,6H2,1H3