7-[4-(1-butoxyethoxy)phenyl]-1-thiophen-2-ylcarbonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 7-[4-(1-butoxyethoxy)phenyl]-1-thiophen-2-ylcarbonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-[4-(1-butoxyethoxy)phenyl]-1-(thiophene-2-carbonyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[oxo(thiophen-2-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-[4-(1-butoxyethoxy)phenyl]-1-(thiophene-2-carbonyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-[4-(1-butoxyethoxy)phenyl]-1-(2-thenoyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C28H29NO5S MolecularWeight: 491.59856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C)OC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)C(=O)C4=CC=CS4

Isomeric SMILES

CCCCOC(C)OC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)C(=O)C4=CC=CS4

InChI

InChI=1S/C28H29NO5S/c1-3-4-15-33-19(2)34-24-10-7-20(8-11-24)21-9-12-25-23(17-21)18-22(28(31)32)13-14-29(25)27(30)26-6-5-16-35-26/h5-12,16-19H,3-4,13-15H2,1-2H3,(H,31,32)