3-cyanopropyl 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 3-cyanopropyl 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 3-cyanopropyl 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]benzoic acid 3-cyanopropyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCCCC#N)SCC(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCCCC#N)SCC(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C20H17N3O3S/c21-10-3-4-11-26-20(25)17-8-1-2-9-18(17)27-14-19(24)23-16-7-5-6-15(12-16)13-22/h1-2,5-9,12H,3-4,11,14H2,(H,23,24)