methyl 7-[4-(2-butoxyethoxy)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1-benzazepine-4-carboxylate

Systemtic Name: methyl 7-[4-(2-butoxyethoxy)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 7-[4-(2-butoxyethoxy)phenyl]-1-(2-methylthiazol-4-yl)-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(2-methyl-4-thiazolyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-[4-(2-butoxyethoxy)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(2-methylthiazol-4-yl)-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C28H32N2O4S MolecularWeight: 492.62968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)C4=CSC(=N4)C

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)C4=CSC(=N4)C

InChI

InChI=1S/C28H32N2O4S/c1-4-5-14-33-15-16-34-25-9-6-21(7-10-25)22-8-11-26-24(17-22)18-23(28(31)32-3)12-13-30(26)27-19-35-20(2)29-27/h6-11,17-19H,4-5,12-16H2,1-3H3