[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 3-benzamido-3-phenyl-propanoate

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 3-benzamido-3-phenyl-propanoate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 3-benzamido-3-phenyl-propanoate CAS Name: 3-benzamido-3-phenylpropanoic acid [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] 3-benzamido-3-phenylpropanoate Traditional Name: 3-benzamido-3-phenyl-propionic acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C28H23N3O4S MolecularWeight: 497.56492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)COC(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)COC(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H23N3O4S/c1-31-23-14-8-9-15-25(23)36-28(31)21(17-29)24(32)18-35-26(33)16-22(19-10-4-2-5-11-19)30-27(34)20-12-6-3-7-13-20/h2-15,22H,16,18H2,1H3,(H,30,34)/b28-21-