3-(1-cyanoethoxy)-5-methoxy-1-benzothiophene-2-carboxylic acid; 4H-1,4-oxazepin-5-one

Systemtic Name: 3-(1-cyanoethoxy)-5-methoxy-1-benzothiophene-2-carboxylic acid; 4H-1,4-oxazepin-5-one Openeye Name: 3-(1-cyanoethoxy)-5-methoxy-benzothiophene-2-carboxylic acid; 4H-1,4-oxazepin-5-one CAS Name: 3-(1-cyanoethoxy)-5-methoxy-1-benzothiophene-2-carboxylic acid; 4H-1,4-oxazepin-5-one IUPAC Name: 3-(1-cyanoethoxy)-5-methoxy-1-benzothiophene-2-carboxylic acid; 4H-1,4-oxazepin-5-one Traditional Name: 3-(1-cyanoethoxy)-5-methoxy-benzothiophene-2-carboxylic acid; 4H-1,4-oxazepin-5-one Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC1=C(SC2=C1C=C(C=C2)OC)C(=O)O.C1=COC=CNC1=O

Isomeric SMILES

CC(C#N)OC1=C(SC2=C1C=C(C=C2)OC)C(=O)O.C1=COC=CNC1=O

InChI

InChI=1S/C13H11NO4S.C5H5NO2/c1-7(6-14)18-11-9-5-8(17-2)3-4-10(9)19-12(11)13(15)16;7-5-1-3-8-4-2-6-5/h3-5,7H,1-2H3,(H,15,16);1-4H,(H,6,7)