N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

Systemtic Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Openeye Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-4-(thiazol-4-ylmethylsulfanyl)benzamide CAS Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-4-(4-thiazolylmethylthio)benzamide IUPAC Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Traditional Name: N-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-4-(thiazol-4-ylmethylthio)benzamide Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)NC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

InChI

InChI=1S/C22H22N2O3S2/c1-3-26-21-9-16-8-14(2)27-20(16)10-19(21)24-22(25)15-4-6-18(7-5-15)29-12-17-11-28-13-23-17/h4-7,9-11,13-14H,3,8,12H2,1-2H3,(H,24,25)/t14-/m0/s1