ethyl 6-chloranyl-2-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]quinoline-4-carboxylate

Systemtic Name: ethyl 6-chloranyl-2-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]quinoline-4-carboxylate Openeye Name: ethyl 6-chloro-2-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]quinoline-4-carboxylate CAS Name: 6-chloro-2-[10-[3-(dimethylamino)propyl]-2-phenothiazinyl]-4-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-2-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]quinoline-4-carboxylate Traditional Name: 6-chloro-2-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]cinchoninic acid ethyl ester Formula: C29H28ClN3O2S MolecularWeight: 518.06952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC4=C(C=C3)SC5=CC=CC=C5N4CCCN(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC4=C(C=C3)SC5=CC=CC=C5N4CCCN(C)C

InChI

InChI=1S/C29H28ClN3O2S/c1-4-35-29(34)22-18-24(31-23-12-11-20(30)17-21(22)23)19-10-13-28-26(16-19)33(15-7-14-32(2)3)25-8-5-6-9-27(25)36-28/h5-6,8-13,16-18H,4,7,14-15H2,1-3H3