methyl 2-[6-(azepan-1-ylsulfonyl)-2-oxidanylidene-1,3-benzoxazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-(azepan-1-ylsulfonyl)-2-oxidanylidene-1,3-benzoxazol-3-yl]ethanoate Openeye Name: methyl 2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetate CAS Name: 2-[6-(1-azepanylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetate Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-2-keto-1,3-benzoxazol-3-yl]acetic acid methyl ester Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)OC1=O

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)OC1=O

InChI

InChI=1S/C16H20N2O6S/c1-23-15(19)11-18-13-7-6-12(10-14(13)24-16(18)20)25(21,22)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9,11H2,1H3