2-methoxyethyl 2-[3-oxidanylidene-1-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: 2-methoxyethyl 2-[3-oxidanylidene-1-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: 2-methoxyethyl 2-[3-oxo-1-[(3,4,5-trimethoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[3-oxo-1-[(3,4,5-trimethoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(3,4,5-trimethoxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid 2-methoxyethyl ester Formula: C20H27N3O8S MolecularWeight: 469.50868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O8S/c1-27-7-8-31-16(24)11-13-19(26)21-5-6-23(13)20(32)22-18(25)12-9-14(28-2)17(30-4)15(10-12)29-3/h9-10,13H,5-8,11H2,1-4H3,(H,21,26)(H,22,25,32)