methyl 6-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamothioylamino]hexanoate Openeye Name: methyl 6-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylcarbamothioylamino]hexanoate CAS Name: 6-[[[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamothioylamino]hexanoate Traditional Name: 6-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylthiocarbamoylamino]hexanoic acid methyl ester Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C20H30N2O4S/c1-4-25-17-11-15-10-14(2)26-18(15)12-16(17)13-22-20(27)21-9-7-5-6-8-19(23)24-3/h11-12,14H,4-10,13H2,1-3H3,(H2,21,22,27)/t14-/m0/s1