1-[5-[2-(ethylamino)-1,3-bis(oxidanyl)propyl]thiophen-2-yl]dodecan-1-one

Systemtic Name: 1-[5-[2-(ethylamino)-1,3-bis(oxidanyl)propyl]thiophen-2-yl]dodecan-1-one Openeye Name: 1-[5-[2-(ethylamino)-1,3-dihydroxy-propyl]-2-thienyl]dodecan-1-one CAS Name: 1-[5-[2-(ethylamino)-1,3-dihydroxypropyl]-2-thiophenyl]-1-dodecanone IUPAC Name: 1-[5-[2-(ethylamino)-1,3-dihydroxypropyl]thiophen-2-yl]dodecan-1-one Traditional Name: 1-[5-[2-(ethylamino)-1,3-dihydroxy-propyl]-2-thienyl]dodecan-1-one Formula: C21H37NO3S MolecularWeight: 383.58838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=CC=C(S1)C(C(CO)NCC)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=CC=C(S1)C(C(CO)NCC)O

InChI

InChI=1S/C21H37NO3S/c1-3-5-6-7-8-9-10-11-12-13-18(24)19-14-15-20(26-19)21(25)17(16-23)22-4-2/h14-15,17,21-23,25H,3-13,16H2,1-2H3