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

Systemtic Name: 2-[6-[(1-ethoxy-4-naphthalen-2-yl-1-oxidanylidene-butan-2-yl)amino]-5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[[1-ethoxycarbonyl-3-(2-naphthyl)propyl]amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[[1-ethoxy-4-(2-naphthalenyl)-1-oxobutan-2-yl]amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(1-ethoxy-4-naphthalen-2-yl-1-oxobutan-2-yl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[[1-carbethoxy-3-(2-naphthyl)propyl]amino]-5-keto-3-phenyl-1,4-thiazepan-4-yl]acetic acid Formula: C29H32N2O5S MolecularWeight: 520.63978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC2=CC=CC=C2C=C1)NC3CSCC(N(C3=O)CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(CCC1=CC2=CC=CC=C2C=C1)NC3CSCC(N(C3=O)CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C29H32N2O5S/c1-2-36-29(35)24(15-13-20-12-14-21-8-6-7-11-23(21)16-20)30-25-18-37-19-26(22-9-4-3-5-10-22)31(28(25)34)17-27(32)33/h3-12,14,16,24-26,30H,2,13,15,17-19H2,1H3,(H,32,33)