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

Systemtic Name: propan-2-yl 2-chloranyl-5-[[6-(ethylsulfanylmethyl)-2,3-dihydro-1,4-oxathiin-5-yl]carbonylamino]benzoate Openeye Name: isopropyl 2-chloro-5-[[6-(ethylsulfanylmethyl)-2,3-dihydro-1,4-oxathiine-5-carbonyl]amino]benzoate CAS Name: 2-chloro-5-[[[6-[(ethylthio)methyl]-2,3-dihydro-1,4-oxathiin-5-yl]-oxomethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-chloro-5-[[6-(ethylsulfanylmethyl)-2,3-dihydro-1,4-oxathiine-5-carbonyl]amino]benzoate Traditional Name: 2-chloro-5-[[6-[(ethylthio)methyl]-2,3-dihydro-1,4-oxathiin-5-carbonyl]amino]benzoic acid isopropyl ester Formula: C18H22ClNO4S2 MolecularWeight: 415.95458

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=C(SCCO1)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC(C)C

Isomeric SMILES

CCSCC1=C(SCCO1)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC(C)C

InChI

InChI=1S/C18H22ClNO4S2/c1-4-25-10-15-16(26-8-7-23-15)17(21)20-12-5-6-14(19)13(9-12)18(22)24-11(2)3/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,20,21)