(3S,6R)-6-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylate

Systemtic Name: (3S,6R)-6-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylate Openeye Name: (3S,6R)-6-[2-(4-bromoanilino)-2-oxo-ethyl]-5-oxo-thiomorpholine-3-carboxylate CAS Name: (3S,6R)-6-[2-(4-bromoanilino)-2-oxoethyl]-5-oxo-3-thiomorpholinecarboxylate IUPAC Name: (3S,6R)-6-[2-(4-bromoanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate Traditional Name: (3S,6R)-6-[2-(4-bromoanilino)-2-keto-ethyl]-5-keto-thiomorpholine-3-carboxylate Formula: C13H12BrN2O4S- MolecularWeight: 372.21438

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)C(S1)CC(=O)NC2=CC=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

C1[C@@H](NC(=O)[C@H](S1)CC(=O)NC2=CC=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C13H13BrN2O4S/c14-7-1-3-8(4-2-7)15-11(17)5-10-12(18)16-9(6-21-10)13(19)20/h1-4,9-10H,5-6H2,(H,15,17)(H,16,18)(H,19,20)/p-1/t9-,10-/m1/s1