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

Systemtic Name: 3-[(2R)-2-(3-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxidanylidene-pyran-2-olate Openeye Name: 3-[(2R)-2-(3-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxo-pyran-2-olate CAS Name: 3-[(2R)-2-(3-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxo-2-pyranolate IUPAC Name: 3-[(2R)-2-(3-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4-oxopyran-2-olate Traditional Name: 4-keto-3-[(2R)-2-(3-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-pyran-2-olate Formula: C22H18NO4S- MolecularWeight: 392.44762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO4S/c1-13-10-18(24)21(22(25)27-13)17-12-20(14-6-5-7-15(11-14)26-2)28-19-9-4-3-8-16(19)23-17/h3-11,20,25H,12H2,1-2H3/p-1/t20-/m1/s1