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

Systemtic Name: 6-methyl-4-oxidanylidene-3-[(7R)-7-(4-propan-2-ylphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]pyran-2-olate Openeye Name: 3-[(7R)-7-(4-isopropylphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-4-oxo-pyran-2-olate CAS Name: 6-methyl-4-oxo-3-[(7R)-7-(4-propan-2-ylphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-2-pyranolate IUPAC Name: 6-methyl-4-oxo-3-[(7R)-7-(4-propan-2-ylphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]pyran-2-olate Traditional Name: 4-keto-6-methyl-3-[(7R)-7-p-cumenyl-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]pyran-2-olate Formula: C20H22NO3S- MolecularWeight: 356.45858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3S/c1-12(2)14-4-6-15(7-5-14)18-11-16(21-8-9-25-18)19-17(22)10-13(3)24-20(19)23/h4-7,10,12,18,23H,8-9,11H2,1-3H3/p-1/t18-/m1/s1