ethyl 5-cyclopropyl-4-[(8-methylsulfanyl-2,3-dihydro-1,4-benzoxathiin-5-yl)carbonyl]-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-cyclopropyl-4-[(8-methylsulfanyl-2,3-dihydro-1,4-benzoxathiin-5-yl)carbonyl]-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-cyclopropyl-4-(8-methylsulfanyl-2,3-dihydro-1,4-benzoxathiine-5-carbonyl)isoxazole-3-carboxylate CAS Name: 5-cyclopropyl-4-[[8-(methylthio)-2,3-dihydro-1,4-benzoxathiin-5-yl]-oxomethyl]-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyclopropyl-4-(8-methylsulfanyl-2,3-dihydro-1,4-benzoxathiine-5-carbonyl)-1,2-oxazole-3-carboxylate Traditional Name: 5-cyclopropyl-4-[8-(methylthio)-2,3-dihydro-1,4-benzoxathiin-5-carbonyl]isoxazole-3-carboxylic acid ethyl ester Formula: C19H19NO5S2 MolecularWeight: 405.48786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1C(=O)C2=C3C(=C(C=C2)SC)OCCS3)C4CC4

Isomeric SMILES

CCOC(=O)C1=NOC(=C1C(=O)C2=C3C(=C(C=C2)SC)OCCS3)C4CC4

InChI

InChI=1S/C19H19NO5S2/c1-3-23-19(22)14-13(16(25-20-14)10-4-5-10)15(21)11-6-7-12(26-2)17-18(11)27-9-8-24-17/h6-7,10H,3-5,8-9H2,1-2H3