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

Systemtic Name: 2-[6-[(1-ethoxy-1-oxidanylidene-decan-2-yl)amino]-2-naphthalen-2-yl-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-(1-ethoxycarbonylnonylamino)-2-(2-naphthyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[(1-ethoxy-1-oxodecan-2-yl)amino]-2-(2-naphthalenyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(1-ethoxy-1-oxodecan-2-yl)amino]-2-naphthalen-2-yl-5-oxo-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-(1-carbethoxynonylamino)-5-keto-2-(2-naphthyl)-1,4-thiazepan-4-yl]acetic acid Formula: C29H40N2O5S MolecularWeight: 528.7033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2O5S/c1-3-5-6-7-8-9-14-24(29(35)36-4-2)30-25-20-37-26(18-31(28(25)34)19-27(32)33)23-16-15-21-12-10-11-13-22(21)17-23/h10-13,15-17,24-26,30H,3-9,14,18-20H2,1-2H3,(H,32,33)