(2S)-2-(phenoxathiin-4-ylcarbonylamino)propanoic acid

Systemtic Name: (2S)-2-(phenoxathiin-4-ylcarbonylamino)propanoic acid Openeye Name: (2S)-2-(phenoxathiine-4-carbonylamino)propanoic acid CAS Name: (2S)-2-[[oxo(4-phenoxathiinyl)methyl]amino]propanoic acid IUPAC Name: (2S)-2-(phenoxathiine-4-carbonylamino)propanoic acid Traditional Name: (2S)-2-(phenoxathiine-4-carbonylamino)propionic acid Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=C2C(=CC=C1)SC3=CC=CC=C3O2

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C1=C2C(=CC=C1)SC3=CC=CC=C3O2

InChI

InChI=1S/C16H13NO4S/c1-9(16(19)20)17-15(18)10-5-4-8-13-14(10)21-11-6-2-3-7-12(11)22-13/h2-9H,1H3,(H,17,18)(H,19,20)/t9-/m0/s1