2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-(4-methyl-2-oxo-thiazol-3-yl)ethyl 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzoic acid 2-(4-methyl-2-oxo-3-thiazolyl)ethyl ester IUPAC Name: 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoic acid 2-(2-keto-4-methyl-4-thiazolin-3-yl)ethyl ester Formula: C25H30N2O4S2 MolecularWeight: 486.6467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=O)N1CCOC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CSC(=O)N1CCOC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H30N2O4S2/c1-16-14-33-24(30)27(16)6-7-31-23(29)20-4-2-3-5-21(20)32-15-22(28)26-25-11-17-8-18(12-25)10-19(9-17)13-25/h2-5,14,17-19H,6-13,15H2,1H3,(H,26,28)