(2S)-2-(3-ethoxy-5-iodanyl-4-prop-2-ynoxy-phenyl)-2,3-dihydro-1,3-benzoxazin-4-one

Systemtic Name: (2S)-2-(3-ethoxy-5-iodanyl-4-prop-2-ynoxy-phenyl)-2,3-dihydro-1,3-benzoxazin-4-one Openeye Name: (2S)-2-(3-ethoxy-5-iodo-4-prop-2-ynoxy-phenyl)-2,3-dihydro-1,3-benzoxazin-4-one CAS Name: (2S)-2-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one IUPAC Name: (2S)-2-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one Traditional Name: (2S)-2-(3-ethoxy-5-iodo-4-propargyloxy-phenyl)-2,3-dihydro-1,3-benzoxazin-4-one Formula: C19H16INO4 MolecularWeight: 449.23911

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2NC(=O)C3=CC=CC=C3O2)I)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@H]2NC(=O)C3=CC=CC=C3O2)I)OCC#C

InChI

InChI=1S/C19H16INO4/c1-3-9-24-17-14(20)10-12(11-16(17)23-4-2)19-21-18(22)13-7-5-6-8-15(13)25-19/h1,5-8,10-11,19H,4,9H2,2H3,(H,21,22)/t19-/m0/s1