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

Systemtic Name: ethyl 2-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]-6-methyl-quinoline-4-carboxylate Openeye Name: ethyl 2-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]-6-methyl-quinoline-4-carboxylate CAS Name: 2-[10-[3-(dimethylamino)propyl]-2-phenothiazinyl]-6-methyl-4-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]-6-methylquinoline-4-carboxylate Traditional Name: 2-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]-6-methyl-cinchoninic acid ethyl ester Formula: C30H31N3O2S MolecularWeight: 497.65104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H31N3O2S/c1-5-35-30(34)23-19-25(31-24-13-11-20(2)17-22(23)24)21-12-14-29-27(18-21)33(16-8-15-32(3)4)26-9-6-7-10-28(26)36-29/h6-7,9-14,17-19H,5,8,15-16H2,1-4H3