(2-oxidanylidene-2-phenylazanyl-ethyl) (4Z)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (4Z)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) (4Z)-4-(2-thienylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4Z)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) (4Z)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4Z)-4-(2-thenylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C27H22N2O3S MolecularWeight: 454.54018

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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=CC=CC=C5

Isomeric SMILES

C1C/C(=C/C2=CC=CS2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H22N2O3S/c30-24(28-19-9-2-1-3-10-19)17-32-27(31)25-21-12-4-5-14-23(21)29-26-18(8-6-13-22(25)26)16-20-11-7-15-33-20/h1-5,7,9-12,14-16H,6,8,13,17H2,(H,28,30)/b18-16-