2-methoxyethyl 4-oxidanylidene-4-[(4-piperidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[(4-piperidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[[4-(1-piperidylsulfonyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(4-piperidinosulfonylphenyl)thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C19H27N3O6S2 MolecularWeight: 457.56418

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C19H27N3O6S2/c1-27-13-14-28-18(24)10-9-17(23)21-19(29)20-15-5-7-16(8-6-15)30(25,26)22-11-3-2-4-12-22/h5-8H,2-4,9-14H2,1H3,(H2,20,21,23,29)