ethyl 2-[2-[1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl]sulfanylthiazol-4-yl]acetate CAS Name: 2-[2-[[1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl]thio]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl]thio]thiazol-4-yl]acetic acid ethyl ester Formula: C21H29N3O4S2 MolecularWeight: 451.60266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)SC(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)SC(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29N3O4S2/c1-3-28-17(25)7-16-11-29-20(22-16)30-12(2)18(26)23-19(27)24-21-8-13-4-14(9-21)6-15(5-13)10-21/h11-15H,3-10H2,1-2H3,(H2,23,24,26,27)