6-methyl-4-oxidanylidene-3-[(2R)-2-(2-oxidanyl-3-prop-2-enyl-phenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyran-2-olate

Systemtic Name: 6-methyl-4-oxidanylidene-3-[(2R)-2-(2-oxidanyl-3-prop-2-enyl-phenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyran-2-olate Openeye Name: 3-[(2R)-2-(3-allyl-2-hydroxy-phenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxo-pyran-2-olate CAS Name: 3-[(2R)-2-(2-hydroxy-3-prop-2-enylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxo-2-pyranolate IUPAC Name: 3-[(2R)-2-(2-hydroxy-3-prop-2-enylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxopyran-2-olate Traditional Name: 3-[(2R)-2-(3-allyl-2-hydroxy-phenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-keto-6-methyl-pyran-2-olate Formula: C24H20NO4S- MolecularWeight: 418.4849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)[O-])C2=NC3=CC=CC=C3SC(C2)C4=C(C(=CC=C4)CC=C)O

Isomeric SMILES

CC1=CC(=O)C(=C(O1)[O-])C2=NC3=CC=CC=C3S[C@H](C2)C4=C(C(=CC=C4)CC=C)O

InChI

InChI=1S/C24H21NO4S/c1-3-7-15-8-6-9-16(23(15)27)21-13-18(22-19(26)12-14(2)29-24(22)28)25-17-10-4-5-11-20(17)30-21/h3-6,8-12,21,27-28H,1,7,13H2,2H3/p-1/t21-/m1/s1