3-[(7R)-7-(5-methoxy-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-methoxy-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-(2-hydroxy-5-methoxy-phenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-4-oxo-pyran-2-olate CAS Name: 3-[(7R)-7-(2-hydroxy-5-methoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-4-oxo-2-pyranolate IUPAC Name: 3-[(7R)-7-(2-hydroxy-5-methoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-4-oxopyran-2-olate Traditional Name: 3-[(7R)-7-(2-hydroxy-5-methoxy-phenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-keto-6-methyl-pyran-2-olate Formula: C18H18NO5S- MolecularWeight: 360.40422

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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)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5S/c1-10-7-15(21)17(18(22)24-10)13-9-16(25-6-5-19-13)12-8-11(23-2)3-4-14(12)20/h3-4,7-8,16,20,22H,5-6,9H2,1-2H3/p-1/t16-/m1/s1