2-(1,3-benzoxazol-2-ylsulfanyl)-3-(chloromethyl)butanedioic acid

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-3-(chloromethyl)butanedioic acid Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-3-(chloromethyl)butanedioic acid CAS Name: 2-(1,3-benzoxazol-2-ylthio)-3-(chloromethyl)butanedioic acid IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-3-(chloromethyl)butanedioic acid Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-3-(chloromethyl)succinic acid Formula: C12H10ClNO5S MolecularWeight: 315.7295

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SC(C(CCl)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SC(C(CCl)C(=O)O)C(=O)O

InChI

InChI=1S/C12H10ClNO5S/c13-5-6(10(15)16)9(11(17)18)20-12-14-7-3-1-2-4-8(7)19-12/h1-4,6,9H,5H2,(H,15,16)(H,17,18)