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

Systemtic Name: N-[4-[(5-bromanyl-2-methoxy-phenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[4-[(5-bromo-2-methoxy-phenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[4-[[(5-bromo-2-methoxyphenyl)methylamino]-oxomethyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[4-[(5-bromo-2-methoxyphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[4-[(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=C(C=C2)NC(=O)C3=CSCCO3

Isomeric SMILES

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

InChI

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