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

Systemtic Name: 3-[(7R)-7-(3-hydroxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-4-oxidanylidene-pyran-2-olate Openeye Name: 3-[(7R)-7-(3-hydroxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-4-oxo-pyran-2-olate CAS Name: 3-[(7R)-7-(3-hydroxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-4-oxo-2-pyranolate IUPAC Name: 3-[(7R)-7-(3-hydroxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-4-oxopyran-2-olate Traditional Name: 3-[(7R)-7-(3-hydroxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-keto-6-methyl-pyran-2-olate Formula: C17H16NO4S- MolecularWeight: 330.37824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4S/c1-10-7-14(20)16(17(21)22-10)13-9-15(23-6-5-18-13)11-3-2-4-12(19)8-11/h2-4,7-8,15,19,21H,5-6,9H2,1H3/p-1/t15-/m1/s1