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

Systemtic Name: 3-[2-azanyl-3-(2-chloranyl-9-sulfanylidene-xanthen-1-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]cyclobutane-1-carboxylic acid Openeye Name: 3-[1-amino-1-[(2-chloro-9-thioxo-xanthen-1-yl)methyl]-2-hydroxy-2-oxo-ethyl]cyclobutanecarboxylic acid CAS Name: 3-[2-amino-3-(2-chloro-9-sulfanylidene-1-xanthenyl)-1-hydroxy-1-oxopropan-2-yl]-1-cyclobutanecarboxylic acid IUPAC Name: 3-[2-amino-3-(2-chloro-9-sulfanylidenexanthen-1-yl)-1-hydroxy-1-oxopropan-2-yl]cyclobutane-1-carboxylic acid Traditional Name: 3-[1-amino-1-[(2-chloro-9-thioxo-xanthen-1-yl)methyl]-2-hydroxy-2-keto-ethyl]cyclobutanecarboxylic acid Formula: C21H18ClNO5S MolecularWeight: 431.88932

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC1C(CC2=C(C=CC3=C2C(=S)C4=CC=CC=C4O3)Cl)(C(=O)O)N)C(=O)O

Isomeric SMILES

C1C(CC1C(CC2=C(C=CC3=C2C(=S)C4=CC=CC=C4O3)Cl)(C(=O)O)N)C(=O)O

InChI

InChI=1S/C21H18ClNO5S/c22-14-5-6-16-17(18(29)12-3-1-2-4-15(12)28-16)13(14)9-21(23,20(26)27)11-7-10(8-11)19(24)25/h1-6,10-11H,7-9,23H2,(H,24,25)(H,26,27)