(3-oxidanylidene-3-phenoxathiin-2-yl-1-phenyl-propyl) N-(2,2-diethoxyethyl)carbamodithioate

Systemtic Name: (3-oxidanylidene-3-phenoxathiin-2-yl-1-phenyl-propyl) N-(2,2-diethoxyethyl)carbamodithioate Openeye Name: (3-oxo-3-phenoxathiin-2-yl-1-phenyl-propyl) N-(2,2-diethoxyethyl)carbamodithioate CAS Name: N-(2,2-diethoxyethyl)carbamodithioic acid [3-oxo-3-(2-phenoxathiinyl)-1-phenylpropyl] ester IUPAC Name: (3-oxo-3-phenoxathiin-2-yl-1-phenylpropyl) N-(2,2-diethoxyethyl)carbamodithioate Traditional Name: N-(2,2-diethoxyethyl)carbamodithioic acid (3-keto-3-phenoxathiin-2-yl-1-phenyl-propyl) ester Formula: C28H29NO4S3 MolecularWeight: 539.72916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CNC(=S)SC(CC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3S2)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC(CNC(=S)SC(CC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3S2)C4=CC=CC=C4)OCC

InChI

InChI=1S/C28H29NO4S3/c1-3-31-27(32-4-2)18-29-28(34)36-25(19-10-6-5-7-11-19)17-21(30)20-14-15-23-26(16-20)35-24-13-9-8-12-22(24)33-23/h5-16,25,27H,3-4,17-18H2,1-2H3,(H,29,34)