(cyanoamino)methylidene-(3,3-dimethyl-1,4-dihydroisothiochromen-4-yl)-(2-methoxy-2-oxidanylidene-ethyl)azanium

Systemtic Name: (cyanoamino)methylidene-(3,3-dimethyl-1,4-dihydroisothiochromen-4-yl)-(2-methoxy-2-oxidanylidene-ethyl)azanium Openeye Name: (cyanoamino)methylene-(3,3-dimethylisothiochroman-4-yl)-(2-methoxy-2-oxo-ethyl)ammonium CAS Name: (cyanoamino)methylidene-(3,3-dimethyl-1,4-dihydro-2-benzothiopyran-4-yl)-(2-methoxy-2-oxoethyl)ammonium IUPAC Name: (cyanoamino)methylidene-(3,3-dimethyl-1,4-dihydroisothiochromen-4-yl)-(2-methoxy-2-oxoethyl)azanium Traditional Name: (cyanoamino)methylene-(3,3-dimethylisothiochroman-4-yl)-(2-keto-2-methoxy-ethyl)ammonium Formula: C16H20N3O2S+ MolecularWeight: 318.4139

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C2=CC=CC=C2CS1)[N+](=CNC#N)CC(=O)OC)C

Isomeric SMILES

CC1(C(C2=CC=CC=C2CS1)[N+](=CNC#N)CC(=O)OC)C

InChI

InChI=1S/C16H19N3O2S/c1-16(2)15(13-7-5-4-6-12(13)9-22-16)19(11-18-10-17)8-14(20)21-3/h4-7,11,15H,8-9H2,1-3H3/p+1