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

Systemtic Name: S-(1,3-benzoxazol-2-yl) 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenecarbothioate Openeye Name: S-(1,3-benzoxazol-2-yl) 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenecarbothioate CAS Name: 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenecarbothioic acid S-(1,3-benzoxazol-2-yl) ester IUPAC Name: S-(1,3-benzoxazol-2-yl) 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzenecarbothioate Traditional Name: 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)thiobenzoic acid S-(1,3-benzoxazol-2-yl) ester Formula: C26H19N3O3S MolecularWeight: 453.51236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC3=C(CCN3C4=CC=C(C=C4)C(=O)SC5=NC6=CC=CC=C6O5)C=C2C=C1

Isomeric SMILES

COC1=CC2=NC3=C(CCN3C4=CC=C(C=C4)C(=O)SC5=NC6=CC=CC=C6O5)C=C2C=C1

InChI

InChI=1S/C26H19N3O3S/c1-31-20-11-8-17-14-18-12-13-29(24(18)27-22(17)15-20)19-9-6-16(7-10-19)25(30)33-26-28-21-4-2-3-5-23(21)32-26/h2-11,14-15H,12-13H2,1H3