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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-[2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]sulfanylbenzoate Openeye Name: (2-amino-2-oxo-ethyl) 2-[2-oxo-2-(tetralin-1-ylamino)ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]thio]benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(tetralin-1-ylamino)ethyl]thio]benzoic acid (2-amino-2-keto-ethyl) ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)NC(=O)CSC3=CC=CC=C3C(=O)OCC(=O)N

Isomeric SMILES

C1CC(C2=CC=CC=C2C1)NC(=O)CSC3=CC=CC=C3C(=O)OCC(=O)N

InChI

InChI=1S/C21H22N2O4S/c22-19(24)12-27-21(26)16-9-3-4-11-18(16)28-13-20(25)23-17-10-5-7-14-6-1-2-8-15(14)17/h1-4,6,8-9,11,17H,5,7,10,12-13H2,(H2,22,24)(H,23,25)