methyl 4-azido-8-methyl-3,4-dihydro-2H-thiochromene-7-carboxylate

Systemtic Name: methyl 4-azido-8-methyl-3,4-dihydro-2H-thiochromene-7-carboxylate Openeye Name: methyl 4-azido-8-methyl-thiochromane-7-carboxylate CAS Name: 4-azido-8-methyl-3,4-dihydro-2H-1-benzothiopyran-7-carboxylic acid methyl ester IUPAC Name: methyl 4-azido-8-methyl-3,4-dihydro-2H-thiochromene-7-carboxylate Traditional Name: 4-azido-8-methyl-thiochroman-7-carboxylic acid methyl ester Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1SCCC2N=[N+]=[N-])C(=O)OC

Isomeric SMILES

CC1=C(C=CC2=C1SCCC2N=[N+]=[N-])C(=O)OC

InChI

InChI=1S/C12H13N3O2S/c1-7-8(12(16)17-2)3-4-9-10(14-15-13)5-6-18-11(7)9/h3-4,10H,5-6H2,1-2H3