[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl] 5-[(3S)-dithiolan-3-yl]pentanoate CAS Name: 5-[(3S)-3-dithiolanyl]pentanoic acid [2-(2-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 5-[(3S)-dithiolan-3-yl]pentanoate Traditional Name: 5-[(3S)-dithiolan-3-yl]valeric acid [2-keto-2-(2-methoxy-5-methyl-anilino)ethyl] ester Formula: C18H25NO4S2 MolecularWeight: 383.5254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)CCCCC2CCSS2

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)CCCC[C@H]2CCSS2

InChI

InChI=1S/C18H25NO4S2/c1-13-7-8-16(22-2)15(11-13)19-17(20)12-23-18(21)6-4-3-5-14-9-10-24-25-14/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,19,20)/t14-/m0/s1