methyl N-[[3-(3-hexadecoxy-2-methyl-thietan-2-yl)pyridin-2-yl]methyl]carbamate

Systemtic Name: methyl N-[[3-(3-hexadecoxy-2-methyl-thietan-2-yl)pyridin-2-yl]methyl]carbamate Openeye Name: methyl N-[[3-(3-hexadecoxy-2-methyl-thietan-2-yl)-2-pyridyl]methyl]carbamate CAS Name: N-[[3-(3-hexadecoxy-2-methyl-2-thietanyl)-2-pyridinyl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[[3-(3-hexadecoxy-2-methylthietan-2-yl)pyridin-2-yl]methyl]carbamate Traditional Name: N-[[3-(3-cetyloxy-2-methyl-thietan-2-yl)-2-pyridyl]methyl]carbamic acid methyl ester Formula: C28H48N2O3S MolecularWeight: 492.75732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1CSC1(C)C2=C(N=CC=C2)CNC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1CSC1(C)C2=C(N=CC=C2)CNC(=O)OC

InChI

InChI=1S/C28H48N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-33-26-23-34-28(26,2)24-19-18-20-29-25(24)22-30-27(31)32-3/h18-20,26H,4-17,21-23H2,1-3H3,(H,30,31)