2-methoxyethyl 4-oxidanylidene-4-[[3-oxidanylidene-2-(2-oxidanylidene-2-phenylmethoxy-ethyl)piperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[[3-oxidanylidene-2-(2-oxidanylidene-2-phenylmethoxy-ethyl)piperazin-1-yl]carbothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-[[2-(2-benzyloxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]amino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[3-oxo-2-(2-oxo-2-phenylmethoxyethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[[3-oxo-2-(2-oxo-2-phenylmethoxyethyl)piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[2-(2-benzoxy-2-keto-ethyl)-3-keto-piperazine-1-carbothioyl]amino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C21H27N3O7S MolecularWeight: 465.51998

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O7S/c1-29-11-12-30-18(26)8-7-17(25)23-21(32)24-10-9-22-20(28)16(24)13-19(27)31-14-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3,(H,22,28)(H,23,25,32)