5-chloranyl-1-[4-oxidanyl-7-(phenylsulfinyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]pyridin-2-one

Systemtic Name: 5-chloranyl-1-[4-oxidanyl-7-(phenylsulfinyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]pyridin-2-one Openeye Name: 1-[7-(benzenesulfinyl)-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-5-chloro-pyridin-2-one CAS Name: 1-[7-(benzenesulfinyl)-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-5-chloro-2-pyridinone IUPAC Name: 1-[7-(benzenesulfinyl)-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-5-chloropyridin-2-one Traditional Name: 1-[7-(benzenesulfinyl)-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-5-chloro-2-pyridone Formula: C21H18ClNO4S MolecularWeight: 415.88992

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)C3=CC=CC=C3)C(C1O)N4C=C(C=CC4=O)Cl

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)C3=CC=CC=C3)C(C1O)N4C=C(C=CC4=O)Cl

InChI

InChI=1S/C21H18ClNO4S/c22-14-6-9-20(25)23(13-14)21-17-12-16(28(26)15-4-2-1-3-5-15)7-8-19(17)27-11-10-18(21)24/h1-9,12-13,18,21,24H,10-11H2