[(2S,4S)-4-(1,3-benzoxazol-2-ylsulfanyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenyl-methanone

Systemtic Name: [(2S,4S)-4-(1,3-benzoxazol-2-ylsulfanyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenyl-methanone Openeye Name: [(2S,4S)-4-(1,3-benzoxazol-2-ylsulfanyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenyl-methanone CAS Name: [(2S,4S)-4-(1,3-benzoxazol-2-ylthio)-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone IUPAC Name: [(2S,4S)-4-(1,3-benzoxazol-2-ylsulfanyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone Traditional Name: [(2S,4S)-4-(1,3-benzoxazol-2-ylthio)-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenyl-methanone Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=C(N1C(=O)C3=CC=CC=C3)C=CC(=C2)C)SC4=NC5=CC=CC=C5O4

Isomeric SMILES

C[C@H]1C[C@@H](C2=C(N1C(=O)C3=CC=CC=C3)C=CC(=C2)C)SC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H22N2O2S/c1-16-12-13-21-19(14-16)23(30-25-26-20-10-6-7-11-22(20)29-25)15-17(2)27(21)24(28)18-8-4-3-5-9-18/h3-14,17,23H,15H2,1-2H3/t17-,23-/m0/s1