2-methoxyethyl 2-[3-oxidanylidene-1-(prop-2-enylcarbamothioyl)piperazin-2-yl]ethanoate

Systemtic Name: 2-methoxyethyl 2-[3-oxidanylidene-1-(prop-2-enylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: 2-methoxyethyl 2-[1-(allylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[(prop-2-enylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[3-oxo-1-(prop-2-enylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[1-(allylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid 2-methoxyethyl ester Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CC1C(=O)NCCN1C(=S)NCC=C

Isomeric SMILES

COCCOC(=O)CC1C(=O)NCCN1C(=S)NCC=C

InChI

InChI=1S/C13H21N3O4S/c1-3-4-15-13(21)16-6-5-14-12(18)10(16)9-11(17)20-8-7-19-2/h3,10H,1,4-9H2,2H3,(H,14,18)(H,15,21)