ethyl 5-azido-4-oxidanylidene-3-propylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carboxylate

Systemtic Name: ethyl 5-azido-4-oxidanylidene-3-propylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Openeye Name: ethyl 5-azido-4-oxo-3-propylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carboxylate CAS Name: 5-azido-4-oxo-3-(propylthio)-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 5-azido-4-oxo-3-propylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Traditional Name: 5-azido-4-keto-3-(propylthio)-6,7-dihydro-5H-isobenzothiophene-1-carboxylic acid ethyl ester Formula: C14H17N3O3S2 MolecularWeight: 339.43308

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C2C(=C(S1)C(=O)OCC)CCC(C2=O)N=[N+]=[N-]

Isomeric SMILES

CCCSC1=C2C(=C(S1)C(=O)OCC)CCC(C2=O)N=[N+]=[N-]

InChI

InChI=1S/C14H17N3O3S2/c1-3-7-21-14-10-8(12(22-14)13(19)20-4-2)5-6-9(11(10)18)16-17-15/h9H,3-7H2,1-2H3