[1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-1-oxidanylidene-butan-2-yl] 2-phenylquinoline-4-carboxylate

Systemtic Name: [1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-1-oxidanylidene-butan-2-yl] 2-phenylquinoline-4-carboxylate Openeye Name: 1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]propyl 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid [1-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1-oxobutan-2-yl] 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid 1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]propyl ester Formula: C34H27N3O3S MolecularWeight: 557.66148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C)OC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C)OC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C34H27N3O3S/c1-3-30(32(38)35-24-16-14-23(15-17-24)33-37-28-18-13-21(2)19-31(28)41-33)40-34(39)26-20-29(22-9-5-4-6-10-22)36-27-12-8-7-11-25(26)27/h4-20,30H,3H2,1-2H3,(H,35,38)