2-methoxyethyl 4-oxidanylidene-4-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]butanoate

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N2CCCC2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N2CCCC2

InChI

InChI=1S/C19H25N3O5S/c1-26-12-13-27-17(24)9-8-16(23)21-19(28)20-15-6-4-14(5-7-15)18(25)22-10-2-3-11-22/h4-7H,2-3,8-13H2,1H3,(H2,20,21,23,28)