(3S,4R)-3-azaniumyl-4-(1-benzothiophen-3-yl)-5-(9H-fluoren-9-ylmethoxy)-5-oxidanylidene-pentanoate

Systemtic Name: (3S,4R)-3-azaniumyl-4-(1-benzothiophen-3-yl)-5-(9H-fluoren-9-ylmethoxy)-5-oxidanylidene-pentanoate Openeye Name: (3S,4R)-3-azaniumyl-4-(benzothiophen-3-yl)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-pentanoate CAS Name: (3S,4R)-3-ammonio-4-(1-benzothiophen-3-yl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoate IUPAC Name: (3S,4R)-3-azaniumyl-4-(1-benzothiophen-3-yl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoate Traditional Name: (3S,4R)-3-ammonio-4-(benzothiophen-3-yl)-5-(9H-fluoren-9-ylmethoxy)-5-keto-valerate Formula: C27H23NO4S MolecularWeight: 457.54082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)C(C4=CSC5=CC=CC=C54)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)[C@H](C4=CSC5=CC=CC=C54)[C@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C27H23NO4S/c28-23(13-25(29)30)26(22-15-33-24-12-6-5-11-20(22)24)27(31)32-14-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-12,15,21,23,26H,13-14,28H2,(H,29,30)/t23-,26+/m0/s1