[[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-(2-phenyl-1,3-dithian-2-yl)methyl] ethanoate

Systemtic Name: [[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-(2-phenyl-1,3-dithian-2-yl)methyl] ethanoate Openeye Name: [[3-(2-amino-2-oxo-ethoxy)phenyl]-(2-phenyl-1,3-dithian-2-yl)methyl] acetate CAS Name: acetic acid [[3-(2-amino-2-oxoethoxy)phenyl]-(2-phenyl-1,3-dithian-2-yl)methyl] ester IUPAC Name: [[3-(2-amino-2-oxoethoxy)phenyl]-(2-phenyl-1,3-dithian-2-yl)methyl] acetate Traditional Name: acetic acid [[3-(2-amino-2-keto-ethoxy)phenyl]-(2-phenyl-1,3-dithian-2-yl)methyl] ester Formula: C21H23NO4S2 MolecularWeight: 417.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC(=CC=C1)OCC(=O)N)C2(SCCCS2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)OC(C1=CC(=CC=C1)OCC(=O)N)C2(SCCCS2)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO4S2/c1-15(23)26-20(16-7-5-10-18(13-16)25-14-19(22)24)21(27-11-6-12-28-21)17-8-3-2-4-9-17/h2-5,7-10,13,20H,6,11-12,14H2,1H3,(H2,22,24)