(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]benzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]benzoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C24H19N3O4S MolecularWeight: 445.49036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)N)OC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)N)OC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C24H19N3O4S/c25-14-16-7-6-10-18(13-16)27-21(28)15-32-20-12-5-4-11-19(20)24(30)31-22(23(26)29)17-8-2-1-3-9-17/h1-13,22H,15H2,(H2,26,29)(H,27,28)