(3S,4R)-3-azaniumyl-5-(9H-fluoren-9-ylmethoxy)-5-oxidanylidene-4-thiophen-3-yl-pentanoate

Systemtic Name: (3S,4R)-3-azaniumyl-5-(9H-fluoren-9-ylmethoxy)-5-oxidanylidene-4-thiophen-3-yl-pentanoate Openeye Name: (3S,4R)-3-azaniumyl-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-(3-thienyl)pentanoate CAS Name: (3S,4R)-3-ammonio-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-(3-thiophenyl)pentanoate IUPAC Name: (3S,4R)-3-azaniumyl-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-thiophen-3-ylpentanoate Traditional Name: (3S,4R)-3-ammonio-5-(9H-fluoren-9-ylmethoxy)-5-keto-4-(3-thienyl)valerate Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)C(C4=CSC=C4)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)[C@H](C4=CSC=C4)[C@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C23H21NO4S/c24-20(11-21(25)26)22(14-9-10-29-13-14)23(27)28-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,13,19-20,22H,11-12,24H2,(H,25,26)/t20-,22+/m0/s1