ethyl-(2-phenyl-5,6,7,8-tetrahydro-1,3-benzothiazin-4-ylidene)sulfanium perchlorate

Systemtic Name: ethyl-(2-phenyl-5,6,7,8-tetrahydro-1,3-benzothiazin-4-ylidene)sulfanium perchlorate Openeye Name: ethyl-(2-phenyl-5,6,7,8-tetrahydro-1,3-benzothiazin-4-ylidene)sulfonium perchlorate CAS Name: ethyl-(2-phenyl-5,6,7,8-tetrahydro-1,3-benzothiazin-4-ylidene)sulfonium perchlorate IUPAC Name: ethyl-(2-phenyl-5,6,7,8-tetrahydro-1,3-benzothiazin-4-ylidene)sulfanium perchlorate Traditional Name: ethyl-(2-phenyl-5,6,7,8-tetrahydro-1,3-benzothiazin-4-ylidene)sulfonium perchlorate Formula: C16H18ClNO4S2 MolecularWeight: 387.90142

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Descriptors Computed from Structure

Canonical SMILES:

CC[S+]=C1C2=C(CCCC2)SC(=N1)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC[S+]=C1C2=C(CCCC2)SC(=N1)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H18NS2.ClHO4/c1-2-18-16-13-10-6-7-11-14(13)19-15(17-16)12-8-4-3-5-9-12;2-1(3,4)5/h3-5,8-9H,2,6-7,10-11H2,1H3;(H,2,3,4,5)/q+1;/p-1