[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 4-(2-thienylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: 4-(2-thenylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C28H22N2O5S MolecularWeight: 498.54968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC=CS2)C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)NC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC(=CC2=CC=CS2)C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H22N2O5S/c31-25(29-18-10-11-23-24(14-18)35-16-34-23)15-33-28(32)26-20-7-1-2-9-22(20)30-27-17(5-3-8-21(26)27)13-19-6-4-12-36-19/h1-2,4,6-7,9-14H,3,5,8,15-16H2,(H,29,31)