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

Systemtic Name: ethyl 2-[2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylthiazol-4-yl]acetate CAS Name: 2-[2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]thiazol-4-yl]acetic acid ethyl ester Formula: C19H26N2O3S2 MolecularWeight: 394.55134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)SCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)SCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H26N2O3S2/c1-2-24-17(23)6-15-10-25-18(20-15)26-11-16(22)21-19-7-12-3-13(8-19)5-14(4-12)9-19/h10,12-14H,2-9,11H2,1H3,(H,21,22)