2-(phenoxathiin-4-ylcarbonylamino)ethanoic acid

Systemtic Name: 2-(phenoxathiin-4-ylcarbonylamino)ethanoic acid Openeye Name: 2-(phenoxathiine-4-carbonylamino)acetic acid CAS Name: 2-[[oxo(4-phenoxathiinyl)methyl]amino]acetic acid IUPAC Name: 2-(phenoxathiine-4-carbonylamino)acetic acid Traditional Name: 2-(phenoxathiine-4-carbonylamino)acetic acid Formula: C15H11NO4S MolecularWeight: 301.31714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC3=C(C=CC=C3S2)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)OC3=C(C=CC=C3S2)C(=O)NCC(=O)O

InChI

InChI=1S/C15H11NO4S/c17-13(18)8-16-15(19)9-4-3-7-12-14(9)20-10-5-1-2-6-11(10)21-12/h1-7H,8H2,(H,16,19)(H,17,18)