2-[(4-piperidin-1-yl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid

Systemtic Name: 2-[(4-piperidin-1-yl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-[[4-(1-piperidyl)-1,3-benzoxazol-2-yl]sulfanyl]butanedioic acid CAS Name: 2-[[4-(1-piperidinyl)-1,3-benzoxazol-2-yl]thio]butanedioic acid IUPAC Name: 2-[(4-piperidin-1-yl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(4-piperidino-1,3-benzoxazol-2-yl)thio]succinic acid Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C(=CC=C2)OC(=N3)SC(CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=C3C(=CC=C2)OC(=N3)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C16H18N2O5S/c19-13(20)9-12(15(21)22)24-16-17-14-10(5-4-6-11(14)23-16)18-7-2-1-3-8-18/h4-6,12H,1-3,7-9H2,(H,19,20)(H,21,22)