4-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylsulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylthio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylthio]acetyl]amino]benzamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CSCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H24N2O4S/c1-3-26-18-9-15-8-13(2)27-19(15)10-16(18)11-28-12-20(24)23-17-6-4-14(5-7-17)21(22)25/h4-7,9-10,13H,3,8,11-12H2,1-2H3,(H2,22,25)(H,23,24)/t13-/m0/s1