2-(4-nitrophenyl)sulfanyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propanamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propanamide Openeye Name: 2-(4-nitrophenyl)sulfanyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl)propanamide CAS Name: 2-[(4-nitrophenyl)thio]-N-(2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl)propanamide IUPAC Name: 2-(4-nitrophenyl)sulfanyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propanamide Traditional Name: 2-[(4-nitrophenyl)thio]-N-(2,6,6-trimethyl-5,7-dihydro-4H-benzofuran-4-yl)propionamide Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)CC(CC2NC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-])(C)C

Isomeric SMILES

CC1=CC2=C(O1)CC(CC2NC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-])(C)C

InChI

InChI=1S/C20H24N2O4S/c1-12-9-16-17(10-20(3,4)11-18(16)26-12)21-19(23)13(2)27-15-7-5-14(6-8-15)22(24)25/h5-9,13,17H,10-11H2,1-4H3,(H,21,23)