[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-butan-2-yl-amino]-2-oxidanylidene-ethyl] (4E)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-butan-2-yl-amino]-2-oxidanylidene-ethyl] (4E)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-sec-butyl-amino]-2-oxo-ethyl] (4E)-4-(2-thienylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-[butan-2-yl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[butan-2-yl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (4E)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-(2-thenylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-[(1,1-diketothiolan-3-yl)-sec-butyl-amino]-2-keto-ethyl] ester Formula: C29H32N2O5S2 MolecularWeight: 552.70478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C3CCCC(=CC4=CC=CS4)C3=NC5=CC=CC=C52

Isomeric SMILES

CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C3CCC/C(=C\C4=CC=CS4)/C3=NC5=CC=CC=C52

InChI

InChI=1S/C29H32N2O5S2/c1-3-19(2)31(21-13-15-38(34,35)18-21)26(32)17-36-29(33)27-23-10-4-5-12-25(23)30-28-20(8-6-11-24(27)28)16-22-9-7-14-37-22/h4-5,7,9-10,12,14,16,19,21H,3,6,8,11,13,15,17-18H2,1-2H3/b20-16+