O3'-butyl O5'-methyl (3S)-2'-azanyl-5-bromanyl-6'-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-spiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate

Systemtic Name: O3'-butyl O5'-methyl (3S)-2'-azanyl-5-bromanyl-6'-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-spiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate Openeye Name: O3'-butyl O5'-methyl (3S)-2'-amino-5-bromo-6'-(2-methoxy-2-oxo-ethyl)-2-oxo-spiro[indoline-3,4'-pyran]-3',5'-dicarboxylate CAS Name: (3S)-2'-amino-5-bromo-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylic acid O3'-butyl ester O5'-methyl ester IUPAC Name: 3-O'-butyl 5-O'-methyl (3S)-2'-amino-5-bromo-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate Traditional Name: (3S)-2'-amino-5-bromo-2-keto-6'-(2-keto-2-methoxy-ethyl)spiro[indoline-3,4'-pyran]-3',5'-dicarboxylic acid O3'-butyl ester O5'-methyl ester Formula: C22H23BrN2O8 MolecularWeight: 523.33062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(OC(=C(C12C3=C(C=CC(=C3)Br)NC2=O)C(=O)OC)CC(=O)OC)N

Isomeric SMILES

CCCCOC(=O)C1=C(OC(=C([C@@]12C3=C(C=CC(=C3)Br)NC2=O)C(=O)OC)CC(=O)OC)N

InChI

InChI=1S/C22H23BrN2O8/c1-4-5-8-32-20(28)17-18(24)33-14(10-15(26)30-2)16(19(27)31-3)22(17)12-9-11(23)6-7-13(12)25-21(22)29/h6-7,9H,4-5,8,10,24H2,1-3H3,(H,25,29)/t22-/m0/s1