(3S,4S)-3-azaniumyl-4-(1-benzothiophen-3-yl)-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-pentanoate

Systemtic Name: (3S,4S)-3-azaniumyl-4-(1-benzothiophen-3-yl)-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-pentanoate Openeye Name: (3S,4S)-3-azaniumyl-4-(benzothiophen-3-yl)-5-tert-butoxy-5-oxo-pentanoate CAS Name: (3S,4S)-3-ammonio-4-(1-benzothiophen-3-yl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate IUPAC Name: (3S,4S)-3-azaniumyl-4-(1-benzothiophen-3-yl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate Traditional Name: (3S,4S)-3-ammonio-4-(benzothiophen-3-yl)-5-tert-butoxy-5-keto-valerate Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=CSC2=CC=CC=C21)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H](C1=CSC2=CC=CC=C21)[C@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C17H21NO4S/c1-17(2,3)22-16(21)15(12(18)8-14(19)20)11-9-23-13-7-5-4-6-10(11)13/h4-7,9,12,15H,8,18H2,1-3H3,(H,19,20)/t12-,15-/m0/s1