6-chloranyl-N-(2-ethylsulfanylphenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1NC(=O)C2CC3=C(C=CC(=C3)Cl)C(=O)O2

Isomeric SMILES

CCSC1=CC=CC=C1NC(=O)C2CC3=C(C=CC(=C3)Cl)C(=O)O2

InChI

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