methyl 6-iodanyl-4-(phenylsulfonyl)spiro[3H-1,4-benzoxazine-2,1'-cyclopropane]-3-carboxylate

Systemtic Name: methyl 6-iodanyl-4-(phenylsulfonyl)spiro[3H-1,4-benzoxazine-2,1'-cyclopropane]-3-carboxylate Openeye Name: methyl 4-(benzenesulfonyl)-6-iodo-spiro[3H-1,4-benzoxazine-2,1'-cyclopropane]-3-carboxylate CAS Name: 4-(benzenesulfonyl)-6-iodo-3-spiro[3H-1,4-benzoxazine-2,1'-cyclopropane]carboxylic acid methyl ester IUPAC Name: methyl 4-(benzenesulfonyl)-6-iodospiro[3H-1,4-benzoxazine-2,1'-cyclopropane]-3-carboxylate Traditional Name: 4-besyl-6-iodo-spiro[3H-1,4-benzoxazine-2,1'-cyclopropane]-3-carboxylic acid methyl ester Formula: C18H16INO5S MolecularWeight: 485.29281

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2(CC2)OC3=C(N1S(=O)(=O)C4=CC=CC=C4)C=C(C=C3)I

Isomeric SMILES

COC(=O)C1C2(CC2)OC3=C(N1S(=O)(=O)C4=CC=CC=C4)C=C(C=C3)I

InChI

InChI=1S/C18H16INO5S/c1-24-17(21)16-18(9-10-18)25-15-8-7-12(19)11-14(15)20(16)26(22,23)13-5-3-2-4-6-13/h2-8,11,16H,9-10H2,1H3