3-[2-(4-methoxyphenyl)-3-oxidanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]propanoic acid

Systemtic Name: 3-[2-(4-methoxyphenyl)-3-oxidanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]propanoic acid Openeye Name: 3-[3-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]propanoic acid CAS Name: 3-[3-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]propanoic acid IUPAC Name: 3-[3-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]propanoic acid Traditional Name: 3-[3-hydroxy-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]propionic acid Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CCC(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CCC(=O)O)O

InChI

InChI=1S/C19H19NO5S/c1-25-13-8-6-12(7-9-13)18-17(23)19(24)20(11-10-16(21)22)14-4-2-3-5-15(14)26-18/h2-9,17-18,23H,10-11H2,1H3,(H,21,22)