8-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-6-methoxycarbonyl-7-oxidanylidene-5H-phenazine-1-carboxylic acid

Systemtic Name: 8-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-6-methoxycarbonyl-7-oxidanylidene-5H-phenazine-1-carboxylic acid Openeye Name: 8-(2-acetamido-3-hydroxy-3-oxo-propyl)sulfanyl-6-methoxycarbonyl-7-oxo-5H-phenazine-1-carboxylic acid CAS Name: 8-[(2-acetamido-3-hydroxy-3-oxopropyl)thio]-6-methoxycarbonyl-7-oxo-5H-phenazine-1-carboxylic acid IUPAC Name: 8-(2-acetamido-3-hydroxy-3-oxopropyl)sulfanyl-6-methoxycarbonyl-7-oxo-5H-phenazine-1-carboxylic acid Traditional Name: 8-[(2-acetamido-3-hydroxy-3-keto-propyl)thio]-6-carbomethoxy-7-keto-5H-phenazine-1-carboxylic acid Formula: C20H17N3O8S MolecularWeight: 459.42928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC2=NC3=C(C=CC=C3NC2=C(C1=O)C(=O)OC)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(CSC1=CC2=NC3=C(C=CC=C3NC2=C(C1=O)C(=O)OC)C(=O)O)C(=O)O

InChI

InChI=1S/C20H17N3O8S/c1-8(24)21-12(19(28)29)7-32-13-6-11-16(14(17(13)25)20(30)31-2)22-10-5-3-4-9(18(26)27)15(10)23-11/h3-6,12,22H,7H2,1-2H3,(H,21,24)(H,26,27)(H,28,29)