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

Click to see the large picture

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/c1-10-8-13(20)16(18(22)24-10)12-9-15(25-7-6-19-12)11-4-3-5-14(23-2)17(11)21/h3-5,8,15,21-22H,6-7,9H2,1-2H3/p-1/t15-/m1/s1