S-(1,3-benzothiazol-2-yl) 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanethioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanethioate Openeye Name: S-(1,3-benzothiazol-2-yl) 4-[5-methyl-2-(2-quinolyl)-1H-indol-3-yl]butanethioate CAS Name: 4-[5-methyl-2-(2-quinolinyl)-1H-indol-3-yl]butanethioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanethioate Traditional Name: 4-[5-methyl-2-(2-quinolyl)-1H-indol-3-yl]butanethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C29H23N3OS2 MolecularWeight: 493.64242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)SC3=NC4=CC=CC=C4S3)C5=NC6=CC=CC=C6C=C5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)SC3=NC4=CC=CC=C4S3)C5=NC6=CC=CC=C6C=C5

InChI

InChI=1S/C29H23N3OS2/c1-18-13-15-23-21(17-18)20(28(31-23)25-16-14-19-7-2-3-9-22(19)30-25)8-6-12-27(33)35-29-32-24-10-4-5-11-26(24)34-29/h2-5,7,9-11,13-17,31H,6,8,12H2,1H3