[1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] (4E)-4-(2-furylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-(2-furanylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-(2-furfurylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C27H21N3O4S MolecularWeight: 483.53834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=C3CCCC(=CC4=CC=CO4)C3=NC5=CC=CC=C52

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=C3CCC/C(=C\C4=CC=CO4)/C3=NC5=CC=CC=C52

InChI

InChI=1S/C27H21N3O4S/c1-16(25(31)30-26-18(15-28)11-13-35-26)34-27(32)23-20-8-2-3-10-22(20)29-24-17(6-4-9-21(23)24)14-19-7-5-12-33-19/h2-3,5,7-8,10-14,16H,4,6,9H2,1H3,(H,30,31)/b17-14+