2-methoxyethyl 2-[3-oxidanylidene-1-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: 2-methoxyethyl 2-[3-oxidanylidene-1-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]piperazin-2-yl]ethanoate Openeye Name: 2-methoxyethyl 2-[3-oxo-1-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[3-oxo-1-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[(E)-3-phenylacryloyl]thiocarbamoyl]piperazin-2-yl]acetic acid 2-methoxyethyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

COCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C19H23N3O5S/c1-26-11-12-27-17(24)13-15-18(25)20-9-10-22(15)19(28)21-16(23)8-7-14-5-3-2-4-6-14/h2-8,15H,9-13H2,1H3,(H,20,25)(H,21,23,28)/b8-7+