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

Systemtic Name: 2-methoxyethyl 4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(4-morpholinosulfonylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(4-morpholinosulfonylphenyl)thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C18H25N3O7S2 MolecularWeight: 459.537

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C18H25N3O7S2/c1-26-12-13-28-17(23)7-6-16(22)20-18(29)19-14-2-4-15(5-3-14)30(24,25)21-8-10-27-11-9-21/h2-5H,6-13H2,1H3,(H2,19,20,22,29)