2-[[7-(phenylmethyl)-1,3-benzoxazol-2-yl]sulfanyl]butanedioic acid

Systemtic Name: 2-[[7-(phenylmethyl)-1,3-benzoxazol-2-yl]sulfanyl]butanedioic acid Openeye Name: 2-[(7-benzyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-[[7-(phenylmethyl)-1,3-benzoxazol-2-yl]thio]butanedioic acid IUPAC Name: 2-[(7-benzyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(7-benzyl-1,3-benzoxazol-2-yl)thio]succinic acid Formula: C18H15NO5S MolecularWeight: 357.3804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C3C(=CC=C2)N=C(O3)SC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C3C(=CC=C2)N=C(O3)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C18H15NO5S/c20-15(21)10-14(17(22)23)25-18-19-13-8-4-7-12(16(13)24-18)9-11-5-2-1-3-6-11/h1-8,14H,9-10H2,(H,20,21)(H,22,23)