(2R)-4-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid

Systemtic Name: (2R)-4-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Openeye Name: (2R)-4-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid CAS Name: (2R)-4-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid IUPAC Name: (2R)-4-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Traditional Name: (2R)-4-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Formula: C17H15NO3S MolecularWeight: 313.3709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3S[C@H](C2)C(=O)O

InChI

InChI=1S/C17H15NO3S/c1-21-12-8-6-11(7-9-12)14-10-16(17(19)20)22-15-5-3-2-4-13(15)18-14/h2-9,16H,10H2,1H3,(H,19,20)/t16-/m1/s1