propan-2-yl 2-chloranyl-5-[(6-phenyl-2,3-dihydro-1,4-oxathiin-5-yl)carbothioylamino]benzoate

Systemtic Name: propan-2-yl 2-chloranyl-5-[(6-phenyl-2,3-dihydro-1,4-oxathiin-5-yl)carbothioylamino]benzoate Openeye Name: isopropyl 2-chloro-5-[(6-phenyl-2,3-dihydro-1,4-oxathiine-5-carbothioyl)amino]benzoate CAS Name: 2-chloro-5-[[(6-phenyl-2,3-dihydro-1,4-oxathiin-5-yl)-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-chloro-5-[(6-phenyl-2,3-dihydro-1,4-oxathiine-5-carbothioyl)amino]benzoate Traditional Name: 2-chloro-5-[(6-phenyl-2,3-dihydro-1,4-oxathiin-5-carbothioyl)amino]benzoic acid isopropyl ester Formula: C21H20ClNO3S2 MolecularWeight: 433.9714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(C=CC(=C1)NC(=S)C2=C(OCCS2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)OC(=O)C1=C(C=CC(=C1)NC(=S)C2=C(OCCS2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H20ClNO3S2/c1-13(2)26-21(24)16-12-15(8-9-17(16)22)23-20(27)19-18(25-10-11-28-19)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,23,27)