4-[(E)-[2-(1-benzothiophen-2-yl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[(E)-[2-(1-benzothiophen-2-yl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]piperazine-1-carboxylic acid Openeye Name: 4-[(E)-[2-(benzothiophen-2-yl)-5-oxo-oxazol-4-ylidene]methyl]piperazine-1-carboxylic acid CAS Name: 4-[(E)-[2-(1-benzothiophen-2-yl)-5-oxo-4-oxazolylidene]methyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[(E)-[2-(1-benzothiophen-2-yl)-5-oxo-1,3-oxazol-4-ylidene]methyl]piperazine-1-carboxylic acid Traditional Name: 4-[(E)-[2-(benzothiophen-2-yl)-5-keto-2-oxazolin-4-ylidene]methyl]piperazine-1-carboxylic acid Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=C2C(=O)OC(=N2)C3=CC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CN(CCN1/C=C/2\C(=O)OC(=N2)C3=CC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C17H15N3O4S/c21-16-12(10-19-5-7-20(8-6-19)17(22)23)18-15(24-16)14-9-11-3-1-2-4-13(11)25-14/h1-4,9-10H,5-8H2,(H,22,23)/b12-10+