3-(3,3-dimethyl-2-oxidanylidene-butylidene)-6-ethylsulfonyl-4H-1,4-benzoxazin-2-one

Systemtic Name: 3-(3,3-dimethyl-2-oxidanylidene-butylidene)-6-ethylsulfonyl-4H-1,4-benzoxazin-2-one Openeye Name: 3-(3,3-dimethyl-2-oxo-butylidene)-6-ethylsulfonyl-4H-1,4-benzoxazin-2-one CAS Name: 3-(3,3-dimethyl-2-oxobutylidene)-6-ethylsulfonyl-4H-1,4-benzoxazin-2-one IUPAC Name: 3-(3,3-dimethyl-2-oxobutylidene)-6-ethylsulfonyl-4H-1,4-benzoxazin-2-one Traditional Name: 6-esyl-3-(2-keto-3,3-dimethyl-butylidene)-4H-1,4-benzoxazin-2-one Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=O)C(=CC(=O)C(C)(C)C)N2

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=O)C(=CC(=O)C(C)(C)C)N2

InChI

InChI=1S/C16H19NO5S/c1-5-23(20,21)10-6-7-13-11(8-10)17-12(15(19)22-13)9-14(18)16(2,3)4/h6-9,17H,5H2,1-4H3