2-[4-(2-chloroethylcarbamoylamino)phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-(2-chloroethylcarbamoylamino)phenyl]sulfanylethanoic acid Openeye Name: 2-[4-(2-chloroethylcarbamoylamino)phenyl]sulfanylacetic acid CAS Name: 2-[[4-[[(2-chloroethylamino)-oxomethyl]amino]phenyl]thio]acetic acid IUPAC Name: 2-[4-(2-chloroethylcarbamoylamino)phenyl]sulfanylacetic acid Traditional Name: 2-[[4-(2-chloroethylcarbamoylamino)phenyl]thio]acetic acid Formula: C11H13ClN2O3S MolecularWeight: 288.75052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NCCCl)SCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NCCCl)SCC(=O)O

InChI

InChI=1S/C11H13ClN2O3S/c12-5-6-13-11(17)14-8-1-3-9(4-2-8)18-7-10(15)16/h1-4H,5-7H2,(H,15,16)(H2,13,14,17)