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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)CC1=CC=C(S1)C(C(CO)NCC)O

Isomeric SMILES

CCCCCCCCCCC(=O)CC1=CC=C(S1)C(C(CO)NCC)O

InChI

InChI=1S/C21H37NO3S/c1-3-5-6-7-8-9-10-11-12-17(24)15-18-13-14-20(26-18)21(25)19(16-23)22-4-2/h13-14,19,21-23,25H,3-12,15-16H2,1-2H3