2-[6-[(1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-naphthalen-2-yl-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[6-[(1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-naphthalen-2-yl-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[(1-ethoxycarbonyl-3-methyl-butyl)amino]-2-(2-naphthyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)amino]-2-(2-naphthalenyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)amino]-2-naphthalen-2-yl-5-oxo-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[(1-carbethoxy-3-methyl-butyl)amino]-5-keto-2-(2-naphthyl)-1,4-thiazepan-4-yl]acetic acid Formula: C25H32N2O5S MolecularWeight: 472.59698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)NC1CSC(CN(C1=O)CC(=O)O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C(CC(C)C)NC1CSC(CN(C1=O)CC(=O)O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H32N2O5S/c1-4-32-25(31)20(11-16(2)3)26-21-15-33-22(13-27(24(21)30)14-23(28)29)19-10-9-17-7-5-6-8-18(17)12-19/h5-10,12,16,20-22,26H,4,11,13-15H2,1-3H3,(H,28,29)