N-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-3,6-dimethyl-N-(phenylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-3,6-dimethyl-N-(phenylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-3,6-dimethyl-benzofuran-2-carboxamide CAS Name: 5-chloro-N-(1,1-dioxo-3-thiolanyl)-3,6-dimethyl-N-(phenylmethyl)-2-benzofurancarboxamide IUPAC Name: N-benzyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide Traditional Name: N-benzyl-5-chloro-N-(1,1-diketothiolan-3-yl)-3,6-dimethyl-coumarilamide Formula: C22H22ClNO4S MolecularWeight: 431.93238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C(OC2=C1)C(=O)N(CC3=CC=CC=C3)C4CCS(=O)(=O)C4)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C(OC2=C1)C(=O)N(CC3=CC=CC=C3)C4CCS(=O)(=O)C4)C)Cl

InChI

InChI=1S/C22H22ClNO4S/c1-14-10-20-18(11-19(14)23)15(2)21(28-20)22(25)24(12-16-6-4-3-5-7-16)17-8-9-29(26,27)13-17/h3-7,10-11,17H,8-9,12-13H2,1-2H3