[2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-oxo-2-(tetralin-1-ylamino)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-keto-2-(tetralin-1-ylamino)ethyl] ester Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)NC(=O)COC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1CC(C2=CC=CC=C2C1)NC(=O)COC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C26H22N2O3S/c27-16-19-9-2-5-14-23(19)32-24-15-6-4-12-21(24)26(30)31-17-25(29)28-22-13-7-10-18-8-1-3-11-20(18)22/h1-6,8-9,11-12,14-15,22H,7,10,13,17H2,(H,28,29)