2-[4-(2-butoxyethoxy)phenyl]-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(thiazol-5-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(5-thiazolylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(thiazol-5-ylmethyl)-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=C3N2CC4=CN=CS4)C(=O)O

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3N2CC4=CN=CS4)C(=O)O

InChI

InChI=1S/C27H30N2O4S/c1-2-3-12-32-13-14-33-23-10-8-20(9-11-23)26-16-22(27(30)31)15-21-6-4-5-7-25(21)29(26)18-24-17-28-19-34-24/h4-11,15,17,19,26H,2-3,12-14,16,18H2,1H3,(H,30,31)