4-[(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)methyl]thiazole-2-carboxylic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N(C1=O)CC3=CSC(=N3)C(=O)O

Isomeric SMILES

C1COC2=CC=CC=C2N(C1=O)CC3=CSC(=N3)C(=O)O

InChI

InChI=1S/C14H12N2O4S/c17-12-5-6-20-11-4-2-1-3-10(11)16(12)7-9-8-21-13(15-9)14(18)19/h1-4,8H,5-7H2,(H,18,19)