ethyl 2-[2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[1-adamantyl(m-anisyl)amino]-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C24H33NO4S MolecularWeight: 431.58812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)N(CC1=CC(=CC=C1)OC)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)CSCC(=O)N(CC1=CC(=CC=C1)OC)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H33NO4S/c1-3-29-23(27)16-30-15-22(26)25(14-17-5-4-6-21(10-17)28-2)24-11-18-7-19(12-24)9-20(8-18)13-24/h4-6,10,18-20H,3,7-9,11-16H2,1-2H3