9-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-8-azanyl-7-oxidanylidene-phenoxazine-2-carboxylic acid

Systemtic Name: 9-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-8-azanyl-7-oxidanylidene-phenoxazine-2-carboxylic acid Openeye Name: 9-(2-acetamido-3-hydroxy-3-oxo-propyl)sulfanyl-8-amino-7-oxo-phenoxazine-2-carboxylic acid CAS Name: 9-[(2-acetamido-3-hydroxy-3-oxopropyl)thio]-8-amino-7-oxo-2-phenoxazinecarboxylic acid IUPAC Name: 9-(2-acetamido-3-hydroxy-3-oxopropyl)sulfanyl-8-amino-7-oxophenoxazine-2-carboxylic acid Traditional Name: 9-[(2-acetamido-3-hydroxy-3-keto-propyl)thio]-8-amino-7-keto-phenoxazine-2-carboxylic acid Formula: C18H15N3O7S MolecularWeight: 417.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=C(C(=O)C=C2C1=NC3=C(O2)C=CC(=C3)C(=O)O)N)C(=O)O

Isomeric SMILES

CC(=O)NC(CSC1=C(C(=O)C=C2C1=NC3=C(O2)C=CC(=C3)C(=O)O)N)C(=O)O

InChI

InChI=1S/C18H15N3O7S/c1-7(22)20-10(18(26)27)6-29-16-14(19)11(23)5-13-15(16)21-9-4-8(17(24)25)2-3-12(9)28-13/h2-5,10H,6,19H2,1H3,(H,20,22)(H,24,25)(H,26,27)