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

Systemtic Name: 3-[(7S)-7-(3-methoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-4-oxidanylidene-pyran-2-olate Openeye Name: 3-[(7S)-7-(3-methoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-4-oxo-pyran-2-olate CAS Name: 3-[(7S)-7-(3-methoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-4-oxo-2-pyranolate IUPAC Name: 3-[(7S)-7-(3-methoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-4-oxopyran-2-olate Traditional Name: 4-keto-3-[(7S)-7-(3-methoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-pyran-2-olate Formula: C18H18NO4S- MolecularWeight: 344.40482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO4S/c1-11-8-15(20)17(18(21)23-11)14-10-16(24-7-6-19-14)12-4-3-5-13(9-12)22-2/h3-5,8-9,16,21H,6-7,10H2,1-2H3/p-1/t16-/m0/s1