3-phenyl-2-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]carbonyl]prop-2-enenitrile

Systemtic Name: 3-phenyl-2-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]carbonyl]prop-2-enenitrile Openeye Name: 3-phenyl-2-(1,1,3-trioxo-1,2-benzothiazole-2-carbonyl)prop-2-enenitrile CAS Name: 2-[oxo-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]-3-phenyl-2-propenenitrile IUPAC Name: 3-phenyl-2-(1,1,3-trioxo-1,2-benzothiazole-2-carbonyl)prop-2-enenitrile Traditional Name: 3-phenyl-2-(1,1,3-triketo-1,2-benzothiazole-2-carbonyl)acrylonitrile Formula: C17H10N2O4S MolecularWeight: 338.3373

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C(C#N)C(=O)N2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C=C(C#N)C(=O)N2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C17H10N2O4S/c18-11-13(10-12-6-2-1-3-7-12)16(20)19-17(21)14-8-4-5-9-15(14)24(19,22)23/h1-10H