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

Systemtic Name: 3-[2-azanyl-3-(1-chloranyl-4-propoxy-9-sulfanylidene-xanthen-2-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]cyclobutane-1-carboxylic acid Openeye Name: 3-[1-amino-1-[(1-chloro-4-propoxy-9-thioxo-xanthen-2-yl)methyl]-2-hydroxy-2-oxo-ethyl]cyclobutanecarboxylic acid CAS Name: 3-[2-amino-3-(1-chloro-4-propoxy-9-sulfanylidene-2-xanthenyl)-1-hydroxy-1-oxopropan-2-yl]-1-cyclobutanecarboxylic acid IUPAC Name: 3-[2-amino-3-(1-chloro-4-propoxy-9-sulfanylidenexanthen-2-yl)-1-hydroxy-1-oxopropan-2-yl]cyclobutane-1-carboxylic acid Traditional Name: 3-[1-amino-1-[(1-chloro-4-propoxy-9-thioxo-xanthen-2-yl)methyl]-2-hydroxy-2-keto-ethyl]cyclobutanecarboxylic acid Formula: C24H24ClNO6S MolecularWeight: 489.96846

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C2C(=C(C(=C1)CC(C3CC(C3)C(=O)O)(C(=O)O)N)Cl)C(=S)C4=CC=CC=C4O2

Isomeric SMILES

CCCOC1=C2C(=C(C(=C1)CC(C3CC(C3)C(=O)O)(C(=O)O)N)Cl)C(=S)C4=CC=CC=C4O2

InChI

InChI=1S/C24H24ClNO6S/c1-2-7-31-17-10-13(11-24(26,23(29)30)14-8-12(9-14)22(27)28)19(25)18-20(17)32-16-6-4-3-5-15(16)21(18)33/h3-6,10,12,14H,2,7-9,11,26H2,1H3,(H,27,28)(H,29,30)