[4-[[(3S)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]phenyl] thiocyanate

Systemtic Name: [4-[[(3S)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]phenyl] thiocyanate Openeye Name: [4-[[(3S)-1-oxoisochromane-3-carbonyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[oxo-[(3S)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]methyl]amino]phenyl] ester IUPAC Name: [4-[[(3S)-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[(3S)-1-ketoisochroman-3-carbonyl]amino]phenyl] ester Formula: C17H12N2O3S MolecularWeight: 324.35378

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)SC#N

Isomeric SMILES

C1[C@H](OC(=O)C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)SC#N

InChI

InChI=1S/C17H12N2O3S/c18-10-23-13-7-5-12(6-8-13)19-16(20)15-9-11-3-1-2-4-14(11)17(21)22-15/h1-8,15H,9H2,(H,19,20)/t15-/m0/s1