3-[2-azanyl-3-(2,4-diethyl-9-sulfanylidene-xanthen-1-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]cyclobutane-1-carboxylic acid

Systemtic Name: 3-[2-azanyl-3-(2,4-diethyl-9-sulfanylidene-xanthen-1-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]cyclobutane-1-carboxylic acid Openeye Name: 3-[1-amino-1-[(2,4-diethyl-9-thioxo-xanthen-1-yl)methyl]-2-hydroxy-2-oxo-ethyl]cyclobutanecarboxylic acid CAS Name: 3-[2-amino-3-(2,4-diethyl-9-sulfanylidene-1-xanthenyl)-1-hydroxy-1-oxopropan-2-yl]-1-cyclobutanecarboxylic acid IUPAC Name: 3-[2-amino-3-(2,4-diethyl-9-sulfanylidenexanthen-1-yl)-1-hydroxy-1-oxopropan-2-yl]cyclobutane-1-carboxylic acid Traditional Name: 3-[1-amino-1-[(2,4-diethyl-9-thioxo-xanthen-1-yl)methyl]-2-hydroxy-2-keto-ethyl]cyclobutanecarboxylic acid Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C1CC(C3CC(C3)C(=O)O)(C(=O)O)N)C(=S)C4=CC=CC=C4O2)CC

Isomeric SMILES

CCC1=CC(=C2C(=C1CC(C3CC(C3)C(=O)O)(C(=O)O)N)C(=S)C4=CC=CC=C4O2)CC

InChI

InChI=1S/C25H27NO5S/c1-3-13-9-14(4-2)21-20(22(32)17-7-5-6-8-19(17)31-21)18(13)12-25(26,24(29)30)16-10-15(11-16)23(27)28/h5-9,15-16H,3-4,10-12,26H2,1-2H3,(H,27,28)(H,29,30)