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

Systemtic Name: 6-chloranyl-1-oxidanylidene-N-(2-prop-2-enylsulfanylphenyl)-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-(2-allylsulfanylphenyl)-6-chloro-1-oxo-isochromane-3-carboxamide CAS Name: 6-chloro-1-oxo-N-[2-(prop-2-enylthio)phenyl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 6-chloro-1-oxo-N-(2-prop-2-enylsulfanylphenyl)-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[2-(allylthio)phenyl]-6-chloro-1-keto-isochroman-3-carboxamide Formula: C19H16ClNO3S MolecularWeight: 373.85324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClNO3S/c1-2-9-25-17-6-4-3-5-15(17)21-18(22)16-11-12-10-13(20)7-8-14(12)19(23)24-16/h2-8,10,16H,1,9,11H2,(H,21,22)