4-azanyl-5-oxidanylidene-5-[4-[(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfanyl]phenyl]pentanoic acid

Systemtic Name: 4-azanyl-5-oxidanylidene-5-[4-[(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfanyl]phenyl]pentanoic acid Openeye Name: 4-amino-5-oxo-5-[4-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfanyl]phenyl]pentanoic acid CAS Name: 4-amino-5-oxo-5-[4-[(3-oxo-4H-1,4-benzoxazin-7-yl)thio]phenyl]pentanoic acid IUPAC Name: 4-amino-5-oxo-5-[4-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfanyl]phenyl]pentanoic acid Traditional Name: 4-amino-5-keto-5-[4-[(3-keto-4H-1,4-benzoxazin-7-yl)thio]phenyl]valeric acid Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=C(C=C2)SC3=CC=C(C=C3)C(=O)C(CCC(=O)O)N

Isomeric SMILES

C1C(=O)NC2=C(O1)C=C(C=C2)SC3=CC=C(C=C3)C(=O)C(CCC(=O)O)N

InChI

InChI=1S/C19H18N2O5S/c20-14(6-8-18(23)24)19(25)11-1-3-12(4-2-11)27-13-5-7-15-16(9-13)26-10-17(22)21-15/h1-5,7,9,14H,6,8,10,20H2,(H,21,22)(H,23,24)