tritiomethyl 2-oxidanylidene-2-[7-(tritiomethoxy)-3,5-dihydro-2H-1,4-benzothiazepin-4-yl]ethanoate

Systemtic Name: tritiomethyl 2-oxidanylidene-2-[7-(tritiomethoxy)-3,5-dihydro-2H-1,4-benzothiazepin-4-yl]ethanoate Openeye Name: tritiomethyl 2-oxo-2-[7-(tritiomethoxy)-3,5-dihydro-2H-1,4-benzothiazepin-4-yl]acetate CAS Name: 2-oxo-2-[7-(tritiomethoxy)-3,5-dihydro-2H-1,4-benzothiazepin-4-yl]acetic acid tritiomethyl ester IUPAC Name: tritiomethyl 2-oxo-2-[7-(tritiomethoxy)-3,5-dihydro-2H-1,4-benzothiazepin-4-yl]acetate Traditional Name: 2-keto-2-[7-(tritiomethoxy)-3,5-dihydro-2H-1,4-benzothiazepin-4-yl]acetic acid tritiomethyl ester Formula: C13H15NO4S MolecularWeight: 285.343719

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SCCN(C2)C(=O)C(=O)OC

Isomeric SMILES

[3H]COC1=CC2=C(C=C1)SCCN(C2)C(=O)C(=O)OC[3H]

InChI

InChI=1S/C13H15NO4S/c1-17-10-3-4-11-9(7-10)8-14(5-6-19-11)12(15)13(16)18-2/h3-4,7H,5-6,8H2,1-2H3/i1T,2T