ethyl 4-[5-methylsulfanyl-7-oxidanylidene-3-phenyl-1-(phenylmethyl)-6H-pyrrolo[3,2-b]pyridin-6-yl]butanoate

Systemtic Name: ethyl 4-[5-methylsulfanyl-7-oxidanylidene-3-phenyl-1-(phenylmethyl)-6H-pyrrolo[3,2-b]pyridin-6-yl]butanoate Openeye Name: ethyl 4-(1-benzyl-5-methylsulfanyl-7-oxo-3-phenyl-6H-pyrrolo[3,2-b]pyridin-6-yl)butanoate CAS Name: 4-[5-(methylthio)-7-oxo-3-phenyl-1-(phenylmethyl)-6H-pyrrolo[3,2-b]pyridin-6-yl]butanoic acid ethyl ester IUPAC Name: ethyl 4-(1-benzyl-5-methylsulfanyl-7-oxo-3-phenyl-6H-pyrrolo[3,2-b]pyridin-6-yl)butanoate Traditional Name: 4-[1-benzyl-7-keto-5-(methylthio)-3-phenyl-6H-pyrrolo[3,2-b]pyridin-6-yl]butyric acid ethyl ester Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1C(=O)C2=C(C(=CN2CC3=CC=CC=C3)C4=CC=CC=C4)N=C1SC

Isomeric SMILES

CCOC(=O)CCCC1C(=O)C2=C(C(=CN2CC3=CC=CC=C3)C4=CC=CC=C4)N=C1SC

InChI

InChI=1S/C27H28N2O3S/c1-3-32-23(30)16-10-15-21-26(31)25-24(28-27(21)33-2)22(20-13-8-5-9-14-20)18-29(25)17-19-11-6-4-7-12-19/h4-9,11-14,18,21H,3,10,15-17H2,1-2H3