6-chloranyl-3-methyl-N-(2-methylsulfanylphenyl)-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: 6-chloranyl-3-methyl-N-(2-methylsulfanylphenyl)-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: 6-chloro-3-methyl-N-(2-methylsulfanylphenyl)-1-oxo-isochromane-3-carboxamide CAS Name: 6-chloro-3-methyl-N-[2-(methylthio)phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 6-chloro-3-methyl-N-(2-methylsulfanylphenyl)-1-oxo-4H-isochromene-3-carboxamide Traditional Name: 6-chloro-1-keto-3-methyl-N-[2-(methylthio)phenyl]isochroman-3-carboxamide Formula: C18H16ClNO3S MolecularWeight: 361.84254

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2)Cl)C(=O)O1)C(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CC1(CC2=C(C=CC(=C2)Cl)C(=O)O1)C(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C18H16ClNO3S/c1-18(17(22)20-14-5-3-4-6-15(14)24-2)10-11-9-12(19)7-8-13(11)16(21)23-18/h3-9H,10H2,1-2H3,(H,20,22)