4-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepine-3-carboxylic acid

Systemtic Name: 4-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepine-3-carboxylic acid Openeye Name: 4-thioxo-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepine-3-carboxylic acid CAS Name: 4-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepine-3-carboxylic acid IUPAC Name: 4-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepine-3-carboxylic acid Traditional Name: 4-thioxo-5,6,7,8-tetrahydro-1H-pyrrol[3,2-c]azepine-3-carboxylic acid Formula: C9H10N2O2S MolecularWeight: 210.2529

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=CN2)C(=O)O)C(=S)NC1

Isomeric SMILES

C1CC2=C(C(=CN2)C(=O)O)C(=S)NC1

InChI

InChI=1S/C9H10N2O2S/c12-9(13)5-4-11-6-2-1-3-10-8(14)7(5)6/h4,11H,1-3H2,(H,10,14)(H,12,13)