2-acetamido-3-(2-azanyl-8-methanoyl-3-oxidanylidene-phenoxazin-1-yl)sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-(2-azanyl-8-methanoyl-3-oxidanylidene-phenoxazin-1-yl)sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-(2-amino-8-formyl-3-oxo-phenoxazin-1-yl)sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[(2-amino-8-formyl-3-oxo-1-phenoxazinyl)thio]propanoic acid IUPAC Name: 2-acetamido-3-(2-amino-8-formyl-3-oxophenoxazin-1-yl)sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[(2-amino-8-formyl-3-keto-phenoxazin-1-yl)thio]propionic acid Formula: C18H15N3O6S MolecularWeight: 401.3932

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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)N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O6S/c1-8(23)20-11(18(25)26)7-28-17-15(19)12(24)5-14-16(17)21-10-4-9(6-22)2-3-13(10)27-14/h2-6,11H,7,19H2,1H3,(H,20,23)(H,25,26)