ethyl 1-(2,6-dimethylphenyl)-6-methyl-3-naphthalen-1-yl-2-oxidanylidene-4-sulfanylidene-1,3,2-diazaphosphinin-2-ium-5-carboxylate

Systemtic Name: ethyl 1-(2,6-dimethylphenyl)-6-methyl-3-naphthalen-1-yl-2-oxidanylidene-4-sulfanylidene-1,3,2-diazaphosphinin-2-ium-5-carboxylate Openeye Name: ethyl 1-(2,6-dimethylphenyl)-6-methyl-3-(1-naphthyl)-2-oxo-4-thioxo-1,3,2-diazaphosphinin-2-ium-5-carboxylate CAS Name: 1-(2,6-dimethylphenyl)-6-methyl-3-(1-naphthalenyl)-2-oxo-4-sulfanylidene-1,3,2-diazaphosphorin-2-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,6-dimethylphenyl)-6-methyl-3-naphthalen-1-yl-2-oxo-4-sulfanylidene-1,3,2-diazaphosphinin-2-ium-5-carboxylate Traditional Name: 1-(2,6-dimethylphenyl)-2-keto-6-methyl-3-(1-naphthyl)-4-thioxo-1,3,2-diazaphosphorin-2-ium-5-carboxylic acid ethyl ester Formula: C25H24N2O3PS+ MolecularWeight: 463.508421

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N([P+](=O)N(C1=S)C2=CC=CC3=CC=CC=C32)C4=C(C=CC=C4C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N([P+](=O)N(C1=S)C2=CC=CC3=CC=CC=C32)C4=C(C=CC=C4C)C)C

InChI

InChI=1S/C25H24N2O3PS/c1-5-30-25(28)22-18(4)26(23-16(2)10-8-11-17(23)3)31(29)27(24(22)32)21-15-9-13-19-12-6-7-14-20(19)21/h6-15H,5H2,1-4H3/q+1