1,3-benzoxazol-2-ylmethyl 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 1,3-benzoxazol-2-ylmethyl 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]benzoic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]benzoic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C24H17N3O4S MolecularWeight: 443.47448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3O2)SCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3O2)SCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H17N3O4S/c25-13-16-6-5-7-17(12-16)26-22(28)15-32-21-11-4-1-8-18(21)24(29)30-14-23-27-19-9-2-3-10-20(19)31-23/h1-12H,14-15H2,(H,26,28)