ethyl 1-cyano-2-(ethylcarbamothioylamino)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate

Systemtic Name: ethyl 1-cyano-2-(ethylcarbamothioylamino)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate Openeye Name: ethyl 1-cyano-2-(ethylcarbamothioylamino)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate CAS Name: 1-cyano-2-[[ethylamino(sulfanylidene)methyl]amino]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-cyano-2-(ethylcarbamothioylamino)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate Traditional Name: 1-cyano-2-(ethylthiocarbamoylamino)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-3-carboxylic acid ethyl ester Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=C(N2CCCCCC2=C1C#N)C(=O)OCC

Isomeric SMILES

CCNC(=S)NC1=C(N2CCCCCC2=C1C#N)C(=O)OCC

InChI

InChI=1S/C16H22N4O2S/c1-3-18-16(23)19-13-11(10-17)12-8-6-5-7-9-20(12)14(13)15(21)22-4-2/h3-9H2,1-2H3,(H2,18,19,23)