ethyl 2-[4-[2-[(2,5-dimethylphenyl)carbamothioyl]hydrazinyl]-2-methyl-2-pyridin-1-ium-3-yl-chromen-6-yl]oxyethanoate

Systemtic Name: ethyl 2-[4-[2-[(2,5-dimethylphenyl)carbamothioyl]hydrazinyl]-2-methyl-2-pyridin-1-ium-3-yl-chromen-6-yl]oxyethanoate Openeye Name: ethyl 2-[4-[2-[(2,5-dimethylphenyl)carbamothioyl]hydrazino]-2-methyl-2-pyridin-1-ium-3-yl-chromen-6-yl]oxyacetate CAS Name: 2-[[4-[[(2,5-dimethylanilino)-sulfanylidenemethyl]hydrazo]-2-methyl-2-(3-pyridin-1-iumyl)-1-benzopyran-6-yl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-[(2,5-dimethylphenyl)carbamothioyl]hydrazinyl]-2-methyl-2-pyridin-1-ium-3-ylchromen-6-yl]oxyacetate Traditional Name: 2-[4-[N'-[(2,5-dimethylphenyl)thiocarbamoyl]hydrazino]-2-methyl-2-pyridin-1-ium-3-yl-chromen-6-yl]oxyacetic acid ethyl ester Formula: C28H31N4O4S+ MolecularWeight: 519.63514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC2=C(C=C1)OC(C=C2NNC(=S)NC3=C(C=CC(=C3)C)C)(C)C4=C[NH+]=CC=C4

Isomeric SMILES

CCOC(=O)COC1=CC2=C(C=C1)OC(C=C2NNC(=S)NC3=C(C=CC(=C3)C)C)(C)C4=C[NH+]=CC=C4

InChI

InChI=1S/C28H30N4O4S/c1-5-34-26(33)17-35-21-10-11-25-22(14-21)24(15-28(4,36-25)20-7-6-12-29-16-20)31-32-27(37)30-23-13-18(2)8-9-19(23)3/h6-16,31H,5,17H2,1-4H3,(H2,30,32,37)/p+1