N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[4-(2,3-dihydrobenzofuran-5-yl)thiazol-2-yl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[4-(2,3-dihydrobenzofuran-5-yl)-2-thiazolyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-(4-coumaran-5-ylthiazol-2-yl)-2-[(4-nitrophenyl)thio]propionamide Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC3=C(C=C2)OCC3)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CC3=C(C=C2)OCC3)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O4S2/c1-12(29-16-5-3-15(4-6-16)23(25)26)19(24)22-20-21-17(11-28-20)13-2-7-18-14(10-13)8-9-27-18/h2-7,10-12H,8-9H2,1H3,(H,21,22,24)