2-[6-[(4-cyclohexyl-1-ethoxy-1-oxidanylidene-butan-2-yl)amino]-5-oxidanylidene-2-thiophen-3-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-3-yl-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[(3-cyclohexyl-1-ethoxycarbonyl-propyl)amino]-5-oxo-2-(3-thienyl)-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]-5-oxo-2-(3-thiophenyl)-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(4-cyclohexyl-1-ethoxy-1-oxobutan-2-yl)amino]-5-oxo-2-thiophen-3-yl-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[(1-carbethoxy-3-cyclohexyl-propyl)amino]-5-keto-2-(3-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=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O5S2/c1-2-30-23(29)18(9-8-16-6-4-3-5-7-16)24-19-15-32-20(17-10-11-31-14-17)12-25(22(19)28)13-21(26)27/h10-11,14,16,18-20,24H,2-9,12-13,15H2,1H3,(H,26,27)