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

Systemtic Name: propyl 4-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepine-3-carboxylate Openeye Name: propyl 4-thioxo-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepine-3-carboxylate CAS Name: 4-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepine-3-carboxylic acid propyl ester IUPAC Name: propyl 4-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepine-3-carboxylate Traditional Name: 4-thioxo-5,6,7,8-tetrahydro-1H-pyrrol[3,2-c]azepine-3-carboxylic acid propyl ester Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CNC2=C1C(=S)NCCC2

Isomeric SMILES

CCCOC(=O)C1=CNC2=C1C(=S)NCCC2

InChI

InChI=1S/C12H16N2O2S/c1-2-6-16-12(15)8-7-14-9-4-3-5-13-11(17)10(8)9/h7,14H,2-6H2,1H3,(H,13,17)