[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C15H19BrN2O4S MolecularWeight: 403.29136

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)CSC1=C(C=C(C=C1)Br)C

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)CSC1=C(C=C(C=C1)Br)C

InChI

InChI=1S/C15H19BrN2O4S/c1-3-6-17-15(21)18-13(19)8-22-14(20)9-23-12-5-4-11(16)7-10(12)2/h4-5,7H,3,6,8-9H2,1-2H3,(H2,17,18,19,21)