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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)OCC)NC1CSC(CN(C1=O)CC(=O)O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCCCCCCC(C(=O)OCC)NC1CSC(CN(C1=O)CC(=O)O)C2=CC=CC3=CC=CC=C32

InChI

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