ethyl 2-[5-(2-azanyloxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]propanoate

Systemtic Name: ethyl 2-[5-(2-azanyloxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]propanoate Openeye Name: ethyl 2-[5-(2-aminooxy-2-oxo-ethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]propanoate CAS Name: 2-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]propanoate Traditional Name: 2-[5-(2-aminooxy-2-keto-ethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-2-yl]propionic acid ethyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C1CC(=O)N(C2=CC=CC=C2S1)CC(=O)ON

Isomeric SMILES

CCOC(=O)C(C)C1CC(=O)N(C2=CC=CC=C2S1)CC(=O)ON

InChI

InChI=1S/C16H20N2O5S/c1-3-22-16(21)10(2)13-8-14(19)18(9-15(20)23-17)11-6-4-5-7-12(11)24-13/h4-7,10,13H,3,8-9,17H2,1-2H3