propan-2-yl 2-chloranyl-5-(2,3-dihydro-1,4-oxathiin-5-ylcarbothioylamino)benzoate

Systemtic Name: propan-2-yl 2-chloranyl-5-(2,3-dihydro-1,4-oxathiin-5-ylcarbothioylamino)benzoate Openeye Name: isopropyl 2-chloro-5-(2,3-dihydro-1,4-oxathiine-5-carbothioylamino)benzoate CAS Name: 2-chloro-5-[[2,3-dihydro-1,4-oxathiin-5-yl(sulfanylidene)methyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-chloro-5-(2,3-dihydro-1,4-oxathiine-5-carbothioylamino)benzoate Traditional Name: 2-chloro-5-(2,3-dihydro-1,4-oxathiin-5-carbothioylamino)benzoic acid isopropyl ester Formula: C15H16ClNO3S2 MolecularWeight: 357.87544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(C=CC(=C1)NC(=S)C2=COCCS2)Cl

Isomeric SMILES

CC(C)OC(=O)C1=C(C=CC(=C1)NC(=S)C2=COCCS2)Cl

InChI

InChI=1S/C15H16ClNO3S2/c1-9(2)20-15(18)11-7-10(3-4-12(11)16)17-14(21)13-8-19-5-6-22-13/h3-4,7-9H,5-6H2,1-2H3,(H,17,21)