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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H17N3O4S/c1-2-10-23-19(25)13-28-21(27)17-8-3-4-9-18(17)29-14-20(26)24-16-7-5-6-15(11-16)12-22/h1,3-9,11H,10,13-14H2,(H,23,25)(H,24,26)