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

Systemtic Name: O3'-butyl O5'-ethyl (3S)-2'-azanyl-5-bromanyl-6'-methyl-2-oxidanylidene-spiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate Openeye Name: O3'-butyl O5'-ethyl (3S)-2'-amino-5-bromo-6'-methyl-2-oxo-spiro[indoline-3,4'-pyran]-3',5'-dicarboxylate CAS Name: (3S)-2'-amino-5-bromo-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylic acid O3'-butyl ester O5'-ethyl ester IUPAC Name: 3-O'-butyl 5-O'-ethyl (3S)-2'-amino-5-bromo-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate Traditional Name: (3S)-2'-amino-5-bromo-2-keto-6'-methyl-spiro[indoline-3,4'-pyran]-3',5'-dicarboxylic acid O3'-butyl ester O5'-ethyl ester Formula: C21H23BrN2O6 MolecularWeight: 479.32112

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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)OCC)C)N

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O6/c1-4-6-9-29-19(26)16-17(23)30-11(3)15(18(25)28-5-2)21(16)13-10-12(22)7-8-14(13)24-20(21)27/h7-8,10H,4-6,9,23H2,1-3H3,(H,24,27)/t21-/m0/s1