ethyl 4-methylsulfanyl-2-oxidanylidene-5H-1,5-benzoxazepine-3-carboxylate

Systemtic Name: ethyl 4-methylsulfanyl-2-oxidanylidene-5H-1,5-benzoxazepine-3-carboxylate Openeye Name: ethyl 4-methylsulfanyl-2-oxo-5H-1,5-benzoxazepine-3-carboxylate CAS Name: 4-(methylthio)-2-oxo-5H-1,5-benzoxazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methylsulfanyl-2-oxo-5H-1,5-benzoxazepine-3-carboxylate Traditional Name: 2-keto-4-(methylthio)-5H-1,5-benzoxazepine-3-carboxylic acid ethyl ester Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2OC1=O)SC

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2OC1=O)SC

InChI

InChI=1S/C13H13NO4S/c1-3-17-12(15)10-11(19-2)14-8-6-4-5-7-9(8)18-13(10)16/h4-7,14H,3H2,1-2H3