phenyl 5-azanyl-2-methyl-4-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-9bH-pyrido[4,3-a]pyrrolizine-1-carboxylate

Systemtic Name: phenyl 5-azanyl-2-methyl-4-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-9bH-pyrido[4,3-a]pyrrolizine-1-carboxylate Openeye Name: phenyl 5-amino-4-(2-isopropoxy-2-oxo-ethyl)sulfanyl-2-methyl-9bH-pyrido[4,3-a]pyrrolizine-1-carboxylate CAS Name: 5-amino-2-methyl-4-[(2-oxo-2-propan-2-yloxyethyl)thio]-9bH-pyrido[4,3-a]pyrrolizine-1-carboxylic acid phenyl ester IUPAC Name: phenyl 5-amino-2-methyl-4-(2-oxo-2-propan-2-yloxyethyl)sulfanyl-9bH-pyrido[4,3-a]pyrrolizine-1-carboxylate Traditional Name: 5-amino-4-[(2-isopropoxy-2-keto-ethyl)thio]-2-methyl-9bH-pyrido[4,3-a]pyrrolizine-1-carboxylic acid phenyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2C3=CC=CN3C(=C2C(=N1)SCC(=O)OC(C)C)N)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2C3=CC=CN3C(=C2C(=N1)SCC(=O)OC(C)C)N)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O4S/c1-13(2)29-17(27)12-31-22-20-19(16-10-7-11-26(16)21(20)24)18(14(3)25-22)23(28)30-15-8-5-4-6-9-15/h4-11,13,19H,12,24H2,1-3H3