2-[4-(2-butoxyethoxy)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(2-methylthiazol-4-yl)-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(2-methyl-4-thiazolyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(2-methylthiazol-4-yl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3N2C4=CSC(=N4)C)C(=O)O

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3N2C4=CSC(=N4)C)C(=O)O

InChI

InChI=1S/C27H30N2O4S/c1-3-4-13-32-14-15-33-23-11-9-20(10-12-23)25-17-22(27(30)31)16-21-7-5-6-8-24(21)29(25)26-18-34-19(2)28-26/h5-12,16,18,25H,3-4,13-15,17H2,1-2H3,(H,30,31)