3-methyl-2-(phenoxathiin-4-ylcarbonylamino)butanoic acid

Systemtic Name: 3-methyl-2-(phenoxathiin-4-ylcarbonylamino)butanoic acid Openeye Name: 3-methyl-2-(phenoxathiine-4-carbonylamino)butanoic acid CAS Name: 3-methyl-2-[[oxo(4-phenoxathiinyl)methyl]amino]butanoic acid IUPAC Name: 3-methyl-2-(phenoxathiine-4-carbonylamino)butanoic acid Traditional Name: 3-methyl-2-(phenoxathiine-4-carbonylamino)butyric acid Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO4S/c1-10(2)15(18(21)22)19-17(20)11-6-5-9-14-16(11)23-12-7-3-4-8-13(12)24-14/h3-10,15H,1-2H3,(H,19,20)(H,21,22)