2-[6-[(1-ethoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-2-naphthalen-2-yl-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[6-[(1-ethoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-2-naphthalen-2-yl-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[(1-benzyl-2-ethoxy-2-oxo-ethyl)amino]-2-(2-naphthyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-(2-naphthalenyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-naphthalen-2-yl-5-oxo-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[(1-benzyl-2-ethoxy-2-keto-ethyl)amino]-5-keto-2-(2-naphthyl)-1,4-thiazepan-4-yl]acetic acid Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H30N2O5S/c1-2-35-28(34)23(14-19-8-4-3-5-9-19)29-24-18-36-25(16-30(27(24)33)17-26(31)32)22-13-12-20-10-6-7-11-21(20)15-22/h3-13,15,23-25,29H,2,14,16-18H2,1H3,(H,31,32)