2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone Formula: C29H30N2O2S2 MolecularWeight: 502.6907

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3C4=CC=CC=C4C(CC3(C)C)(C)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3C4=CC=CC=C4C(CC3(C)C)(C)C5=CC=CC=C5

InChI

InChI=1S/C29H30N2O2S2/c1-5-33-21-15-16-23-25(17-21)35-27(30-23)34-18-26(32)31-24-14-10-9-13-22(24)29(4,19-28(31,2)3)20-11-7-6-8-12-20/h6-17H,5,18-19H2,1-4H3