3-[2-[4-(5-chloranyl-2-oxidanylidene-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]ethyl]-1-benzothiophene-5-carbonitrile

Systemtic Name: 3-[2-[4-(5-chloranyl-2-oxidanylidene-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]ethyl]-1-benzothiophene-5-carbonitrile Openeye Name: 3-[2-[4-(5-chloro-2-oxo-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]ethyl]benzothiophene-5-carbonitrile CAS Name: 3-[2-[4-(5-chloro-2-oxo-3H-1,3-benzoxazol-7-yl)-1-piperazinyl]ethyl]-1-benzothiophene-5-carbonitrile IUPAC Name: 3-[2-[4-(5-chloro-2-oxo-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]ethyl]-1-benzothiophene-5-carbonitrile Traditional Name: 3-[2-[4-(5-chloro-2-keto-3H-1,3-benzoxazol-7-yl)piperazino]ethyl]benzothiophene-5-carbonitrile Formula: C22H19ClN4O2S MolecularWeight: 438.92986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CSC3=C2C=C(C=C3)C#N)C4=C5C(=CC(=C4)Cl)NC(=O)O5

Isomeric SMILES

C1CN(CCN1CCC2=CSC3=C2C=C(C=C3)C#N)C4=C5C(=CC(=C4)Cl)NC(=O)O5

InChI

InChI=1S/C22H19ClN4O2S/c23-16-10-18-21(29-22(28)25-18)19(11-16)27-7-5-26(6-8-27)4-3-15-13-30-20-2-1-14(12-24)9-17(15)20/h1-2,9-11,13H,3-8H2,(H,25,28)