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

Systemtic Name: O3'-butyl O5'-methyl (3S)-2'-azanyl-5-bromanyl-6'-methyl-2-oxidanylidene-spiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate Openeye Name: O3'-butyl O5'-methyl (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'-methyl ester IUPAC Name: 3-O'-butyl 5-O'-methyl (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'-methyl ester Formula: C20H21BrN2O6 MolecularWeight: 465.29454

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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)C)N

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O6/c1-4-5-8-28-18(25)15-16(22)29-10(2)14(17(24)27-3)20(15)12-9-11(21)6-7-13(12)23-19(20)26/h6-7,9H,4-5,8,22H2,1-3H3,(H,23,26)/t20-/m0/s1