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

Systemtic Name: 2-[(7-phenylazanyl-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(7-anilino-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-[(7-anilino-1,3-benzoxazol-2-yl)thio]butanedioic acid IUPAC Name: 2-[(7-anilino-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(7-anilino-1,3-benzoxazol-2-yl)thio]succinic acid Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=CC3=C2OC(=N3)SC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=CC3=C2OC(=N3)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C17H14N2O5S/c20-14(21)9-13(16(22)23)25-17-19-12-8-4-7-11(15(12)24-17)18-10-5-2-1-3-6-10/h1-8,13,18H,9H2,(H,20,21)(H,22,23)