1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-isoquinolin-2-ium-2-yl-3-[(4-methoxyphenyl)amino]-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-isoquinolin-2-ium-2-yl-3-[(4-methoxyphenyl)amino]-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-isoquinolin-2-ium-2-yl-3-(4-methoxyanilino)-3-thioxo-prop-1-en-1-olate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-isoquinolin-2-iumyl)-3-(4-methoxyanilino)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-isoquinolin-2-ium-2-yl-3-(4-methoxyanilino)-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-isoquinolin-2-ium-2-yl-3-(p-anisidino)-3-thioxo-prop-1-en-1-olate Formula: C27H22N2O4S MolecularWeight: 470.53958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)C(=C(C2=CC3=C(C=C2)OCCO3)[O-])[N+]4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)C(=C(C2=CC3=C(C=C2)OCCO3)[O-])[N+]4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H22N2O4S/c1-31-22-9-7-21(8-10-22)28-27(34)25(29-13-12-18-4-2-3-5-20(18)17-29)26(30)19-6-11-23-24(16-19)33-15-14-32-23/h2-13,16-17H,14-15H2,1H3,(H-,28,30,34)