[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-phenyl-propanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-phenyl-propanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-benzamido-3-phenyl-propanoate CAS Name: 2-benzamido-3-phenylpropanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate Traditional Name: 2-benzamido-3-phenyl-propionic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NC2=C(C=CS2)C#N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NC2=C(C=CS2)C#N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H19N3O4S/c24-14-18-11-12-31-22(18)26-20(27)15-30-23(29)19(13-16-7-3-1-4-8-16)25-21(28)17-9-5-2-6-10-17/h1-12,19H,13,15H2,(H,25,28)(H,26,27)