1-[2-(4-nitrophenyl)ethyl]-4-sulfanylidene-6,7-dihydro-5H-pyrrolo[3,2-c]pyridine-3-carboxylic acid

Systemtic Name: 1-[2-(4-nitrophenyl)ethyl]-4-sulfanylidene-6,7-dihydro-5H-pyrrolo[3,2-c]pyridine-3-carboxylic acid Openeye Name: 1-[2-(4-nitrophenyl)ethyl]-4-thioxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridine-3-carboxylic acid CAS Name: 1-[2-(4-nitrophenyl)ethyl]-4-sulfanylidene-6,7-dihydro-5H-pyrrolo[3,2-c]pyridine-3-carboxylic acid IUPAC Name: 1-[2-(4-nitrophenyl)ethyl]-4-sulfanylidene-6,7-dihydro-5H-pyrrolo[3,2-c]pyridine-3-carboxylic acid Traditional Name: 1-[2-(4-nitrophenyl)ethyl]-4-thioxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridine-3-carboxylic acid Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=S)C2=C1N(C=C2C(=O)O)CCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CNC(=S)C2=C1N(C=C2C(=O)O)CCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4S/c20-16(21)12-9-18(13-5-7-17-15(24)14(12)13)8-6-10-1-3-11(4-2-10)19(22)23/h1-4,9H,5-8H2,(H,17,24)(H,20,21)