4-methylsulfanyl-1-[2-(4-nitrophenyl)ethyl]-6,7-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid

Systemtic Name: 4-methylsulfanyl-1-[2-(4-nitrophenyl)ethyl]-6,7-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid Openeye Name: 4-methylsulfanyl-1-[2-(4-nitrophenyl)ethyl]-6,7-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid CAS Name: 4-(methylthio)-1-[2-(4-nitrophenyl)ethyl]-6,7-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid IUPAC Name: 4-methylsulfanyl-1-[2-(4-nitrophenyl)ethyl]-6,7-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid Traditional Name: 4-(methylthio)-1-[2-(4-nitrophenyl)ethyl]-6,7-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NCCC2=C1C(=CN2CCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CSC1=NCCC2=C1C(=CN2CCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H17N3O4S/c1-25-16-15-13(17(21)22)10-19(14(15)6-8-18-16)9-7-11-2-4-12(5-3-11)20(23)24/h2-5,10H,6-9H2,1H3,(H,21,22)