2-[6-[(4-cyclohexyl-1-ethoxy-1-oxidanylidene-butan-2-yl)amino]-5-oxidanylidene-2-thiophen-2-yl-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[6-[(4-cyclohexyl-1-ethoxy-1-oxidanylidene-butan-2-yl)amino]-5-oxidanylidene-2-thiophen-2-yl-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[(3-cyclohexyl-1-ethoxycarbonyl-propyl)amino]-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[(1-carbethoxy-3-cyclohexyl-propyl)amino]-5-keto-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid Formula: C23H34N2O5S2 MolecularWeight: 482.65646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1CCCCC1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C(CCC1CCCCC1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CS3

InChI

InChI=1S/C23H34N2O5S2/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27/h6,9,12,16-18,20,24H,2-5,7-8,10-11,13-15H2,1H3,(H,26,27)