[7-acetyloxy-3-(phenylmethyl)-5-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepin-8-yl] ethanoate hydrochloride

Systemtic Name: [7-acetyloxy-3-(phenylmethyl)-5-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepin-8-yl] ethanoate hydrochloride Openeye Name: [7-acetoxy-3-benzyl-5-(2-thienyl)-1,2,4,5-tetrahydro-3-benzazepin-8-yl] acetate hydrochloride CAS Name: acetic acid [7-acetyloxy-3-(phenylmethyl)-5-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepin-8-yl] ester hydrochloride IUPAC Name: (7-acetyloxy-3-benzyl-5-thiophen-2-yl-1,2,4,5-tetrahydro-3-benzazepin-8-yl) acetate hydrochloride Traditional Name: acetic acid [7-acetoxy-3-benzyl-5-(2-thienyl)-1,2,4,5-tetrahydro-3-benzazepin-8-yl] ester hydrochloride Formula: C25H26ClNO4S MolecularWeight: 471.99624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C(CN(CCC2=C1)CC3=CC=CC=C3)C4=CC=CS4)OC(=O)C.Cl

Isomeric SMILES

CC(=O)OC1=C(C=C2C(CN(CCC2=C1)CC3=CC=CC=C3)C4=CC=CS4)OC(=O)C.Cl

InChI

InChI=1S/C25H25NO4S.ClH/c1-17(27)29-23-13-20-10-11-26(15-19-7-4-3-5-8-19)16-22(25-9-6-12-31-25)21(20)14-24(23)30-18(2)28;/h3-9,12-14,22H,10-11,15-16H2,1-2H3;1H