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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3,6-dimethyl-N-(phenylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3,6-dimethyl-benzofuran-2-carboxamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-3,6-dimethyl-N-(phenylmethyl)-2-benzofurancarboxamide IUPAC Name: N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide Traditional Name: N-benzyl-N-[(3S)-1,1-diketothiolan-3-yl]-3,6-dimethyl-coumarilamide Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(O2)C(=O)N(CC3=CC=CC=C3)C4CCS(=O)(=O)C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(O2)C(=O)N(CC3=CC=CC=C3)[C@H]4CCS(=O)(=O)C4)C

InChI

InChI=1S/C22H23NO4S/c1-15-8-9-19-16(2)21(27-20(19)12-15)22(24)23(13-17-6-4-3-5-7-17)18-10-11-28(25,26)14-18/h3-9,12,18H,10-11,13-14H2,1-2H3/t18-/m0/s1