ethyl 2-[5-methylsulfanyl-7-oxidanylidene-3-phenyl-1-(phenylmethyl)-6H-pyrrolo[3,2-b]pyridin-6-yl]ethanoate

Systemtic Name: ethyl 2-[5-methylsulfanyl-7-oxidanylidene-3-phenyl-1-(phenylmethyl)-6H-pyrrolo[3,2-b]pyridin-6-yl]ethanoate Openeye Name: ethyl 2-(1-benzyl-5-methylsulfanyl-7-oxo-3-phenyl-6H-pyrrolo[3,2-b]pyridin-6-yl)acetate CAS Name: 2-[5-(methylthio)-7-oxo-3-phenyl-1-(phenylmethyl)-6H-pyrrolo[3,2-b]pyridin-6-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(1-benzyl-5-methylsulfanyl-7-oxo-3-phenyl-6H-pyrrolo[3,2-b]pyridin-6-yl)acetate Traditional Name: 2-[1-benzyl-7-keto-5-(methylthio)-3-phenyl-6H-pyrrolo[3,2-b]pyridin-6-yl]acetic acid ethyl ester Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)C2=C(C(=CN2CC3=CC=CC=C3)C4=CC=CC=C4)N=C1SC

Isomeric SMILES

CCOC(=O)CC1C(=O)C2=C(C(=CN2CC3=CC=CC=C3)C4=CC=CC=C4)N=C1SC

InChI

InChI=1S/C25H24N2O3S/c1-3-30-21(28)14-19-24(29)23-22(26-25(19)31-2)20(18-12-8-5-9-13-18)16-27(23)15-17-10-6-4-7-11-17/h4-13,16,19H,3,14-15H2,1-2H3