[2-oxidanylidene-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-oxo-2-(1-tetralin-6-ylethylamino)ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-keto-2-(1-tetralin-6-ylethylamino)ethyl] ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(CCCC2)C=C1)NC(=O)COC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(C1=CC2=C(CCCC2)C=C1)NC(=O)COC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H25NO3S/c1-15(18-8-7-16-5-3-4-6-19(16)13-18)23-21(24)14-26-22(25)17-9-11-20(27-2)12-10-17/h7-13,15H,3-6,14H2,1-2H3,(H,23,24)