3-(3-methyl-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)propanoic acid

Systemtic Name: 3-(3-methyl-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)propanoic acid Openeye Name: 3-(3-methyl-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)propanoic acid CAS Name: 3-(3-methyl-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)propanoic acid IUPAC Name: 3-(3-methyl-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)propanoic acid Traditional Name: 3-(3-methyl-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)propionic acid Formula: C19H21NO2S MolecularWeight: 327.44054

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=CC=CC=C2C(N1)C3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC1(CSC2=CC=CC=C2C(N1)C3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C19H21NO2S/c1-19(12-11-17(21)22)13-23-16-10-6-5-9-15(16)18(20-19)14-7-3-2-4-8-14/h2-10,18,20H,11-13H2,1H3,(H,21,22)