4-[(E)-[2-(3-chloranyl-1-benzothiophen-2-yl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]benzoate

Systemtic Name: 4-[(E)-[2-(3-chloranyl-1-benzothiophen-2-yl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]benzoate Openeye Name: 4-[(E)-[2-(3-chlorobenzothiophen-2-yl)-5-oxo-oxazol-4-ylidene]methyl]benzoate CAS Name: 4-[(E)-[2-(3-chloro-1-benzothiophen-2-yl)-5-oxo-4-oxazolylidene]methyl]benzoate IUPAC Name: 4-[(E)-[2-(3-chloro-1-benzothiophen-2-yl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate Traditional Name: 4-[(E)-[2-(3-chlorobenzothiophen-2-yl)-5-keto-2-oxazolin-4-ylidene]methyl]benzoate Formula: C19H9ClNO4S- MolecularWeight: 382.79706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C3=NC(=CC4=CC=C(C=C4)C(=O)[O-])C(=O)O3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C3=N/C(=C/C4=CC=C(C=C4)C(=O)[O-])/C(=O)O3)Cl

InChI

InChI=1S/C19H10ClNO4S/c20-15-12-3-1-2-4-14(12)26-16(15)17-21-13(19(24)25-17)9-10-5-7-11(8-6-10)18(22)23/h1-9H,(H,22,23)/p-1/b13-9+