3-(1,3-benzothiazol-2-yl)-3-cyano-N-(2-methylphenyl)-2-oxidanylidene-propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-3-cyano-N-(2-methylphenyl)-2-oxidanylidene-propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-3-cyano-N-(o-tolyl)-2-oxo-propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-3-cyano-N-(2-methylphenyl)-2-oxopropanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-3-cyano-N-(2-methylphenyl)-2-oxopropanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-3-cyano-2-keto-N-(o-tolyl)propionamide Formula: C18H13N3O2S MolecularWeight: 335.37972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=O)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(=O)C(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H13N3O2S/c1-11-6-2-3-7-13(11)20-17(23)16(22)12(10-19)18-21-14-8-4-5-9-15(14)24-18/h2-9,12H,1H3,(H,20,23)