2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl (Z)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl (Z)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl (Z)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (Z)-2-acetamido-3-phenyl-2-propenoic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl (Z)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (Z)-2-acetamido-3-phenyl-acrylic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC=CC=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C20H18N2O6S/c1-14(23)21-17(13-15-7-3-2-4-8-15)20(25)28-12-11-22-19(24)16-9-5-6-10-18(16)29(22,26)27/h2-10,13H,11-12H2,1H3,(H,21,23)/b17-13-