2-methoxyethyl 4-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[4-[2-(methylamino)-2-oxo-ethyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[2-(methylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-[2-keto-2-(methylamino)ethyl]phenyl]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CNC(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C17H23N3O5S/c1-18-15(22)11-12-3-5-13(6-4-12)19-17(26)20-14(21)7-8-16(23)25-10-9-24-2/h3-6H,7-11H2,1-2H3,(H,18,22)(H2,19,20,21,26)