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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzoxazin-4-yl)propanoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)propionic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C20H19NO4S2 MolecularWeight: 401.49916

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)OC(=O)CCN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)OC(=O)CCN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C20H19NO4S2/c22-18-13-24-17-4-2-1-3-16(17)21(18)10-9-19(23)25-15-7-5-14(6-8-15)20-26-11-12-27-20/h1-8,20H,9-13H2