(2S)-2-acetamido-N-[(7-chloranyl-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-acetamido-N-[(7-chloranyl-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-acetamido-N-[[7-chloro-5-(3-thienyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-methylsulfanyl-butanamide CAS Name: (2S)-2-acetamido-N-[[7-chloro-5-(3-thiophenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-(methylthio)butanamide IUPAC Name: (2S)-2-acetamido-N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylsulfanylbutanamide Traditional Name: (2S)-2-acetamido-N-[[7-chloro-5-(3-thienyl)coumaran-2-yl]methyl]-4-(methylthio)butyramide Formula: C20H23ClN2O3S2 MolecularWeight: 438.99122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)NCC1CC2=C(O1)C(=CC(=C2)C3=CSC=C3)Cl

Isomeric SMILES

CC(=O)N[C@@H](CCSC)C(=O)NCC1CC2=C(O1)C(=CC(=C2)C3=CSC=C3)Cl

InChI

InChI=1S/C20H23ClN2O3S2/c1-12(24)23-18(4-5-27-2)20(25)22-10-16-8-15-7-14(13-3-6-28-11-13)9-17(21)19(15)26-16/h3,6-7,9,11,16,18H,4-5,8,10H2,1-2H3,(H,22,25)(H,23,24)/t16?,18-/m0/s1