2-(1,3-benzothiazol-2-ylmethyl)-3-(4-chlorophenyl)-3-oxidanylidene-propanal

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethyl)-3-(4-chlorophenyl)-3-oxidanylidene-propanal Openeye Name: 2-(1,3-benzothiazol-2-ylmethyl)-3-(4-chlorophenyl)-3-oxo-propanal CAS Name: 2-(1,3-benzothiazol-2-ylmethyl)-3-(4-chlorophenyl)-3-oxopropanal IUPAC Name: 2-(1,3-benzothiazol-2-ylmethyl)-3-(4-chlorophenyl)-3-oxopropanal Traditional Name: 2-(1,3-benzothiazol-2-ylmethyl)-3-(4-chlorophenyl)-3-keto-propionaldehyde Formula: C17H12ClNO2S MolecularWeight: 329.80068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CC(C=O)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CC(C=O)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H12ClNO2S/c18-13-7-5-11(6-8-13)17(21)12(10-20)9-16-19-14-3-1-2-4-15(14)22-16/h1-8,10,12H,9H2