4-chloranyl-3-oxidanylidene-butanoic acid; 4-(6-methyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-chloranyl-3-oxidanylidene-butanoic acid; 4-(6-methyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-chloro-3-oxo-butanoic acid; 4-(6-methyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-chloro-3-oxobutanoic acid; 4-(6-methyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-chloro-3-oxobutanoic acid; 4-(6-methyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-chloro-3-keto-butyric acid; 4-(6-methyl-1,3-benzothiazol-2-yl)benzamide Formula: C19H17ClN2O4S MolecularWeight: 404.86728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N.C(C(=O)CCl)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N.C(C(=O)CCl)C(=O)O

InChI

InChI=1S/C15H12N2OS.C4H5ClO3/c1-9-2-7-12-13(8-9)19-15(17-12)11-5-3-10(4-6-11)14(16)18;5-2-3(6)1-4(7)8/h2-8H,1H3,(H2,16,18);1-2H2,(H,7,8)