S-(1,3-benzothiazol-2-yl) 4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenecarbothioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) 4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenecarbothioate Openeye Name: S-(1,3-benzothiazol-2-yl) 4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenecarbothioate CAS Name: 4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenecarbothioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenecarbothioate Traditional Name: 4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)thiobenzoic acid S-(1,3-benzothiazol-2-yl) ester Formula: C26H19N3OS2 MolecularWeight: 453.57856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC3=C(CCN3C4=CC=C(C=C4)C(=O)SC5=NC6=CC=CC=C6S5)C=C2C=C1

Isomeric SMILES

CC1=CC2=NC3=C(CCN3C4=CC=C(C=C4)C(=O)SC5=NC6=CC=CC=C6S5)C=C2C=C1

InChI

InChI=1S/C26H19N3OS2/c1-16-6-7-18-15-19-12-13-29(24(19)27-22(18)14-16)20-10-8-17(9-11-20)25(30)32-26-28-21-4-2-3-5-23(21)31-26/h2-11,14-15H,12-13H2,1H3