[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: 3-[(2S)-3-keto-2-methyl-1,4-benzoxazin-4-yl]propionic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C22H23NO5S2 MolecularWeight: 445.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

Isomeric SMILES

C[C@H]1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

InChI

InChI=1S/C22H23NO5S2/c1-14-21(25)23(16-5-3-4-6-17(16)27-14)10-9-20(24)28-18-8-7-15(13-19(18)26-2)22-29-11-12-30-22/h3-8,13-14,22H,9-12H2,1-2H3/t14-/m0/s1