4-[(4-bromanyl-2-thiomorpholin-4-ylcarbonyl-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-bromanyl-2-thiomorpholin-4-ylcarbonyl-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-bromo-2-(thiomorpholine-4-carbonyl)anilino]-4-oxo-butanoic acid CAS Name: 4-[4-bromo-2-[oxo(thiomorpholin-4-yl)methyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-bromo-2-(thiomorpholine-4-carbonyl)anilino]-4-oxobutanoic acid Traditional Name: 4-[4-bromo-2-(thiomorpholine-4-carbonyl)anilino]-4-keto-butyric acid Formula: C15H17BrN2O4S MolecularWeight: 401.27548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)C2=C(C=CC(=C2)Br)NC(=O)CCC(=O)O

Isomeric SMILES

C1CSCCN1C(=O)C2=C(C=CC(=C2)Br)NC(=O)CCC(=O)O

InChI

InChI=1S/C15H17BrN2O4S/c16-10-1-2-12(17-13(19)3-4-14(20)21)11(9-10)15(22)18-5-7-23-8-6-18/h1-2,9H,3-8H2,(H,17,19)(H,20,21)