[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl] 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzoic acid [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoic acid [2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C31H38N2O4S MolecularWeight: 534.70942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C31H38N2O4S/c1-19(2)24-9-6-7-20(3)29(24)32-27(34)17-37-30(36)25-8-4-5-10-26(25)38-18-28(35)33-31-14-21-11-22(15-31)13-23(12-21)16-31/h4-10,19,21-23H,11-18H2,1-3H3,(H,32,34)(H,33,35)