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

Systemtic Name: N-[3-[(5-bromanyl-2-methoxy-phenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[3-[(5-bromo-2-methoxy-phenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[3-[[(5-bromo-2-methoxyphenyl)methylamino]-oxomethyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[3-[(5-bromo-2-methoxyphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[3-[(5-bromo-2-methoxy-benzyl)carbamoyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C20H19BrN2O4S MolecularWeight: 463.34486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CSCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CSCCO3

InChI

InChI=1S/C20H19BrN2O4S/c1-26-17-6-5-15(21)9-14(17)11-22-19(24)13-3-2-4-16(10-13)23-20(25)18-12-28-8-7-27-18/h2-6,9-10,12H,7-8,11H2,1H3,(H,22,24)(H,23,25)