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

Systemtic Name: ethyl 5-azido-4-oxidanylidene-3-propan-2-ylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Openeye Name: ethyl 5-azido-3-isopropylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate CAS Name: 5-azido-4-oxo-3-(propan-2-ylthio)-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 5-azido-4-oxo-3-propan-2-ylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Traditional Name: 5-azido-3-(isopropylthio)-4-keto-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:

CCOC(=O)C1=C2CCC(C(=O)C2=C(S1)SC(C)C)N=[N+]=[N-]

Isomeric SMILES

CCOC(=O)C1=C2CCC(C(=O)C2=C(S1)SC(C)C)N=[N+]=[N-]

InChI

InChI=1S/C14H17N3O3S2/c1-4-20-13(19)12-8-5-6-9(16-17-15)11(18)10(8)14(22-12)21-7(2)3/h7,9H,4-6H2,1-3H3