2-[[5-(dimethylamino)-1,3-benzoxazol-2-yl]sulfanyl]butanedioic acid

Systemtic Name: 2-[[5-(dimethylamino)-1,3-benzoxazol-2-yl]sulfanyl]butanedioic acid Openeye Name: 2-[[5-(dimethylamino)-1,3-benzoxazol-2-yl]sulfanyl]butanedioic acid CAS Name: 2-[[5-(dimethylamino)-1,3-benzoxazol-2-yl]thio]butanedioic acid IUPAC Name: 2-[[5-(dimethylamino)-1,3-benzoxazol-2-yl]sulfanyl]butanedioic acid Traditional Name: 2-[[5-(dimethylamino)-1,3-benzoxazol-2-yl]thio]succinic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)OC(=N2)SC(CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)OC(=N2)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H14N2O5S/c1-15(2)7-3-4-9-8(5-7)14-13(20-9)21-10(12(18)19)6-11(16)17/h3-5,10H,6H2,1-2H3,(H,16,17)(H,18,19)