3-[(7R)-7-(5-bromanyl-2-oxidanyl-phenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-4-oxidanylidene-pyran-2-olate

Systemtic Name: 3-[(7R)-7-(5-bromanyl-2-oxidanyl-phenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-4-oxidanylidene-pyran-2-olate Openeye Name: 3-[(7R)-7-(5-bromo-2-hydroxy-phenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-4-oxo-pyran-2-olate CAS Name: 3-[(7R)-7-(5-bromo-2-hydroxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-4-oxo-2-pyranolate IUPAC Name: 3-[(7R)-7-(5-bromo-2-hydroxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-4-oxopyran-2-olate Traditional Name: 3-[(7R)-7-(5-bromo-2-hydroxy-phenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-keto-6-methyl-pyran-2-olate Formula: C17H15BrNO4S- MolecularWeight: 409.2743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)[O-])C2=NCCSC(C2)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

CC1=CC(=O)C(=C(O1)[O-])C2=NCCS[C@H](C2)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C17H16BrNO4S/c1-9-6-14(21)16(17(22)23-9)12-8-15(24-5-4-19-12)11-7-10(18)2-3-13(11)20/h2-3,6-7,15,20,22H,4-5,8H2,1H3/p-1/t15-/m1/s1