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

Systemtic Name: 2-methoxyethyl 2-[1-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-methoxyethyl 2-[1-[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[1-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[[(E)-3-(2-furyl)acryloyl]thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid 2-methoxyethyl ester Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C=CC2=CC=CO2

Isomeric SMILES

COCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)/C=C/C2=CC=CO2

InChI

InChI=1S/C17H21N3O6S/c1-24-9-10-26-15(22)11-13-16(23)18-6-7-20(13)17(27)19-14(21)5-4-12-3-2-8-25-12/h2-5,8,13H,6-7,9-11H2,1H3,(H,18,23)(H,19,21,27)/b5-4+