N-[5-[(5-bromanyl-2-methoxy-phenyl)methylcarbamoyl]-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

Systemtic Name: N-[5-[(5-bromanyl-2-methoxy-phenyl)methylcarbamoyl]-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[5-[(5-bromo-2-methoxy-phenyl)methylcarbamoyl]-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[5-[[(5-bromo-2-methoxyphenyl)methylamino]-oxomethyl]-2-methylphenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[5-[(5-bromo-2-methoxyphenyl)methylcarbamoyl]-2-methylphenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[5-[(5-bromo-2-methoxy-benzyl)carbamoyl]-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C21H21BrN2O4S MolecularWeight: 477.37144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=C(C=CC(=C2)Br)OC)NC(=O)C3=CSCCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=C(C=CC(=C2)Br)OC)NC(=O)C3=CSCCO3

InChI

InChI=1S/C21H21BrN2O4S/c1-13-3-4-14(10-17(13)24-21(26)19-12-29-8-7-28-19)20(25)23-11-15-9-16(22)5-6-18(15)27-2/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,23,25)(H,24,26)