2-[6-[(1-ethoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-2-(furan-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-(furan-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-furyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-(2-furanyl)-5-oxo-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-(furan-2-yl)-5-oxo-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[(1-benzyl-2-ethoxy-2-keto-ethyl)amino]-2-(2-furyl)-5-keto-1,4-thiazepan-4-yl]acetic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CO3

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CO3

InChI

InChI=1S/C22H26N2O6S/c1-2-29-22(28)16(11-15-7-4-3-5-8-15)23-17-14-31-19(18-9-6-10-30-18)12-24(21(17)27)13-20(25)26/h3-10,16-17,19,23H,2,11-14H2,1H3,(H,25,26)